(1S,4Z,8E,12R)-N-(3-nitrophenyl)bicyclo[10.1.0]trideca-4,8-diene-13-carboxamide

C20H24N2O3 — CID 7719959

IUPAC(1S,4Z,8E,12R)-N-(3-nitrophenyl)bicyclo[10.1.0]trideca-4,8-diene-13-carboxamide
SMILESO=C(Nc1cccc([N+](=O)[O-])c1)C1[C@H]2CC/C=C\CC/C=C/CC[C@@H]12
InChIInChI=1S/C20H24N2O3/c23-20(21-15-10-9-11-16(14-15)22(24)25)19-17-12-7-5-3-1-2-4-6-8-13-18(17)19/h3-6,9-11,14,17-19H,1-2,7-8,12-13H2,(H,21,23)/b5-3-,6-4+/t17-,18+,19?/m0/s1
InChIKeyMWKIJKCNHZZODI-NZJTVPFUSA-N
MW340.42 g/mol
LogP4.86
Rot. Bonds3

About (1S,4Z,8E,12R)-N-(3-nitrophenyl)bicyclo[10.1.0]trideca-4,8-diene-13-carboxamide

(1S,4Z,8E,12R)-N-(3-nitrophenyl)bicyclo[10.1.0]trideca-4,8-diene-13-carboxamide (PubChem CID 7719959) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is (1S,4Z,8E,12R)-N-(3-nitrophenyl)bicyclo[10.1.0]trideca-4,8-diene-13-carboxamide.

Molecular Properties

Compound Name(1S,4Z,8E,12R)-N-(3-nitrophenyl)bicyclo[10.1.0]trideca-4,8-diene-13-carboxamide
PubChem CID7719959
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC Name(1S,4Z,8E,12R)-N-(3-nitrophenyl)bicyclo[10.1.0]trideca-4,8-diene-13-carboxamide
SMILESO=C(Nc1cccc([N+](=O)[O-])c1)C1[C@H]2CC/C=C\CC/C=C/CC[C@@H]12
InChIInChI=1S/C20H24N2O3/c23-20(21-15-10-9-11-16(14-15)22(24)25)19-17-12-7-5-3-1-2-4-6-8-13-18(17)19/h3-6,9-11,14,17-19H,1-2,7-8,12-13H2,(H,21,23)/b5-3-,6-4+/t17-,18+,19?/m0/s1
InChIKeyMWKIJKCNHZZODI-NZJTVPFUSA-N
XLogP4.86
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(1R,4Z,8R)-N-(3-nitrophenyl)bicyclo[6.1.0]non-4-ene-9-carboxamide
CID 5390129
(1S,12R)-N-(3-chlorophenyl)bicyclo[10.1.0]trideca-4,8-diene-13-carboxamide
CID 880928
(4Z,8E)-N-(3-bromophenyl)bicyclo[10.1.0]trideca-4,8-diene-13-carboxamide
CID 11836641
(1S,4Z,8E,12R)-N-(2-hydroxy-4-nitrophenyl)bicyclo[10.1.0]trideca-4,8-diene-13-carboxamide
CID 7298998
(1S,12R)-N-(3-acetylphenyl)bicyclo[10.1.0]trideca-4,8-diene-13-carboxamide
CID 848278
(4Z)-N-(3-methylphenyl)bicyclo[6.1.0]non-4-ene-9-carboxamide
CID 5285511
(1S,6S)-6-[(3-nitrophenyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 776384
(15S,16S)-16-[(3-nitrophenyl)carbamoyl]tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxylic acid
CID 6990180
(1R,3S,6R,7R,9R)-N-(3-nitrophenyl)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxamide
CID 934437
1-acetyl-N-(3-nitrophenyl)piperidine-4-carboxamide
CID 35345514
4-(cyclopropanecarbonylamino)-N-(3-nitrophenyl)benzamide
CID 17359573
ethane;N-(3-nitrophenyl)acetamide
CID 90876834

Frequently Asked Questions

What is the IUPAC name of (1S,4Z,8E,12R)-N-(3-nitrophenyl)bicyclo[10.1.0]trideca-4,8-diene-13-carboxamide?
The IUPAC name of (1S,4Z,8E,12R)-N-(3-nitrophenyl)bicyclo[10.1.0]trideca-4,8-diene-13-carboxamide (CID 7719959) is (1S,4Z,8E,12R)-N-(3-nitrophenyl)bicyclo[10.1.0]trideca-4,8-diene-13-carboxamide.
What is the SMILES notation for (1S,4Z,8E,12R)-N-(3-nitrophenyl)bicyclo[10.1.0]trideca-4,8-diene-13-carboxamide?
The canonical SMILES for (1S,4Z,8E,12R)-N-(3-nitrophenyl)bicyclo[10.1.0]trideca-4,8-diene-13-carboxamide is O=C(Nc1cccc([N+](=O)[O-])c1)C1[C@H]2CC/C=C\CC/C=C/CC[C@@H]12.
What is the InChIKey of (1S,4Z,8E,12R)-N-(3-nitrophenyl)bicyclo[10.1.0]trideca-4,8-diene-13-carboxamide?
The InChIKey is MWKIJKCNHZZODI-NZJTVPFUSA-N. The full InChI is InChI=1S/C20H24N2O3/c23-20(21-15-10-9-11-16(14-15)22(24)25)19-17-12-7-5-3-1-2-4-6-8-13-18(17)19/h3-6,9-11,14,17-19H,1-2,7-8,12-13H2,(H,21,23)/b5-3-,6-4+/t17-,18+,19?/m0/s1.
What are the key properties of (1S,4Z,8E,12R)-N-(3-nitrophenyl)bicyclo[10.1.0]trideca-4,8-diene-13-carboxamide?
(1S,4Z,8E,12R)-N-(3-nitrophenyl)bicyclo[10.1.0]trideca-4,8-diene-13-carboxamide has a molecular weight of 340.42 g/mol, XLogP of 4.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,4Z,8E,12R)-N-(3-nitrophenyl)bicyclo[10.1.0]trideca-4,8-diene-13-carboxamide is sourced from PubChem (CID 7719959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).