2-(4-hydroxyphenyl)-N-[9-oxo-2-[(E)-prop-1-enyl]-3,10,11-triazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13),11-pentaen-6-yl]cyclopropane-1-carboxamide;prop-1-ene

C26H26N4O3 — CID 142922057

IUPAC2-(4-hydroxyphenyl)-N-[9-oxo-2-[(E)-prop-1-enyl]-3,10,11-triazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13),11-pentaen-6-yl]cyclopropane-1-carboxamide;prop-1-ene
SMILESC/C=C/c1[nH]c2cc(NC(=O)C3CC3c3ccc(O)cc3)cc3c2c1C=NNC3=O.C=CC
InChIInChI=1S/C23H20N4O3.C3H6/c1-2-3-19-18-11-24-27-23(30)17-8-13(9-20(26-19)21(17)18)25-22(29)16-10-15(16)12-4-6-14(28)7-5-12;1-3-2/h2-9,11,15-16,26,28H,10H2,1H3,(H,25,29)(H,27,30);3H,1H2,2H3/b3-2+;
InChIKeyHIZZZPAZWAMRHM-SQQVDAMQSA-N
MW442.52 g/mol
LogP4.92
Rot. Bonds4

About 2-(4-hydroxyphenyl)-N-[9-oxo-2-[(E)-prop-1-enyl]-3,10,11-triazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13),11-pentaen-6-yl]cyclopropane-1-carboxamide;prop-1-ene

2-(4-hydroxyphenyl)-N-[9-oxo-2-[(E)-prop-1-enyl]-3,10,11-triazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13),11-pentaen-6-yl]cyclopropane-1-carboxamide;prop-1-ene (PubChem CID 142922057) has the molecular formula C26H26N4O3 and a molecular weight of 442.52 g/mol. Its IUPAC name is 2-(4-hydroxyphenyl)-N-[9-oxo-2-[(E)-prop-1-enyl]-3,10,11-triazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13),11-pentaen-6-yl]cyclopropane-1-carboxamide;prop-1-ene.

Molecular Properties

Compound Name2-(4-hydroxyphenyl)-N-[9-oxo-2-[(E)-prop-1-enyl]-3,10,11-triazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13),11-pentaen-6-yl]cyclopropane-1-carboxamide;prop-1-ene
PubChem CID142922057
Molecular FormulaC26H26N4O3
Molecular Weight442.52 g/mol
Exact Mass442.20
IUPAC Name2-(4-hydroxyphenyl)-N-[9-oxo-2-[(E)-prop-1-enyl]-3,10,11-triazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13),11-pentaen-6-yl]cyclopropane-1-carboxamide;prop-1-ene
SMILESC/C=C/c1[nH]c2cc(NC(=O)C3CC3c3ccc(O)cc3)cc3c2c1C=NNC3=O.C=CC
InChIInChI=1S/C23H20N4O3.C3H6/c1-2-3-19-18-11-24-27-23(30)17-8-13(9-20(26-19)21(17)18)25-22(29)16-10-15(16)12-4-6-14(28)7-5-12;1-3-2/h2-9,11,15-16,26,28H,10H2,1H3,(H,25,29)(H,27,30);3H,1H2,2H3/b3-2+;
InChIKeyHIZZZPAZWAMRHM-SQQVDAMQSA-N
XLogP4.92
TPSA106.58 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.52
LogP ≤ 54.92
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2-(4-hydroxyphenyl)-N-[9-oxo-2-[(E)-prop-1-enyl]-3,10,11-triazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13),11-pentaen-6-yl]cyclopropane-1-carboxamide;prop-1-ene with MolForge

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Related Compounds

2-(4-fluorophenyl)-N-(9-oxo-2-phenyl-3,10,11-triazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13),11-pentaen-6-yl)cyclopropane-1-carboxamide
CID 135537596
methyl 6-amino-9-oxo-3,10,11-triazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13),11-pentaene-2-carboxylate;methyl 9-oxo-6-[[(1R,2R)-2-phenylcyclopropanecarbonyl]amino]-3,10,11-triazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13),11-pentaene-2-carboxylate;trans-(1R,2R)-2-phenylcyclopropane-1-carboxylic acid;hydrochloride
CID 157197250
N-(9-oxo-2-phenyl-3,10,11-triazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13),11-pentaen-6-yl)-2-[6-(trifluoromethyl)-3-pyridinyl]cyclopropane-1-carboxamide
CID 135474816
acetic acid;2-(1H-imidazol-5-yl)-N-(9-oxo-2-phenyl-3,10,11-triazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13),11-pentaen-6-yl)cyclopropane-1-carboxamide
CID 162332025
trans-(1R,2R)-N-[2-[3-[[chloro(cyclobutyl)amino]methyl]phenyl]-9-oxo-3,10,11-triazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13),11-pentaen-6-yl]-2-phenylcyclopropane-1-carboxamide
CID 136622949
acetic acid;6-amino-2-phenyl-3,10,11-triazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13),11-pentaen-9-one;N-(9-oxo-2-phenyl-3,10,11-triazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13),11-pentaen-6-yl)-2-pyridin-2-ylcyclopropane-1-carboxamide;2-pyridin-2-ylcyclopropane-1-carboxylic acid
CID 159684344
N-[3-(2-hydroxyethyl)-9-oxo-3,10,11-triazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13),11-pentaen-6-yl]-2-phenylcyclopropane-1-carboxamide
CID 10452862
trans-(1R,2R)-N-[3-[2-(1,3-dioxoisoindol-2-yl)ethyl]-9-oxo-3,10,11-triazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13),11-pentaen-6-yl]-2-pyridin-3-ylcyclopropane-1-carboxamide
CID 58585969
ethyl 2-(2-methoxyphenyl)cyclopropane-1-carboxylate;ethyl 3-(2-methoxyphenyl)prop-2-enoate;2-(2-methoxyphenyl)-N-(9-oxo-3,10,11-triazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13),11-pentaen-6-yl)cyclopropane-1-carboxamide
CID 160940058
trans-(1R,2R)-2-methyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)cyclopropane-1-carboxamide
CID 51532166
N-(3-hydroxyphenyl)-2-phenylcyclopropane-1-carboxamide
CID 81445768
N-[4-(6-acetamido-1H-benzimidazol-2-yl)phenyl]-2-phenylcyclopropane-1-carboxamide
CID 10179766

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxyphenyl)-N-[9-oxo-2-[(E)-prop-1-enyl]-3,10,11-triazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13),11-pentaen-6-yl]cyclopropane-1-carboxamide;prop-1-ene?
The IUPAC name of 2-(4-hydroxyphenyl)-N-[9-oxo-2-[(E)-prop-1-enyl]-3,10,11-triazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13),11-pentaen-6-yl]cyclopropane-1-carboxamide;prop-1-ene (CID 142922057) is 2-(4-hydroxyphenyl)-N-[9-oxo-2-[(E)-prop-1-enyl]-3,10,11-triazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13),11-pentaen-6-yl]cyclopropane-1-carboxamide;prop-1-ene.
What is the SMILES notation for 2-(4-hydroxyphenyl)-N-[9-oxo-2-[(E)-prop-1-enyl]-3,10,11-triazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13),11-pentaen-6-yl]cyclopropane-1-carboxamide;prop-1-ene?
The canonical SMILES for 2-(4-hydroxyphenyl)-N-[9-oxo-2-[(E)-prop-1-enyl]-3,10,11-triazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13),11-pentaen-6-yl]cyclopropane-1-carboxamide;prop-1-ene is C/C=C/c1[nH]c2cc(NC(=O)C3CC3c3ccc(O)cc3)cc3c2c1C=NNC3=O.C=CC.
What is the InChIKey of 2-(4-hydroxyphenyl)-N-[9-oxo-2-[(E)-prop-1-enyl]-3,10,11-triazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13),11-pentaen-6-yl]cyclopropane-1-carboxamide;prop-1-ene?
The InChIKey is HIZZZPAZWAMRHM-SQQVDAMQSA-N. The full InChI is InChI=1S/C23H20N4O3.C3H6/c1-2-3-19-18-11-24-27-23(30)17-8-13(9-20(26-19)21(17)18)25-22(29)16-10-15(16)12-4-6-14(28)7-5-12;1-3-2/h2-9,11,15-16,26,28H,10H2,1H3,(H,25,29)(H,27,30);3H,1H2,2H3/b3-2+;.
What are the key properties of 2-(4-hydroxyphenyl)-N-[9-oxo-2-[(E)-prop-1-enyl]-3,10,11-triazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13),11-pentaen-6-yl]cyclopropane-1-carboxamide;prop-1-ene?
2-(4-hydroxyphenyl)-N-[9-oxo-2-[(E)-prop-1-enyl]-3,10,11-triazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13),11-pentaen-6-yl]cyclopropane-1-carboxamide;prop-1-ene has a molecular weight of 442.52 g/mol, XLogP of 4.92, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxyphenyl)-N-[9-oxo-2-[(E)-prop-1-enyl]-3,10,11-triazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13),11-pentaen-6-yl]cyclopropane-1-carboxamide;prop-1-ene is sourced from PubChem (CID 142922057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).