N-methanehydrazonoyl-9-oxo-1-azatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraene-2-carboxamide

C14H14N4O2 — CID 139776876

IUPACN-methanehydrazonoyl-9-oxo-1-azatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraene-2-carboxamide
SMILESNN=CNC(=O)c1cc2cccc3c2n1CCCC3=O
InChIInChI=1S/C14H14N4O2/c15-17-8-16-14(20)11-7-9-3-1-4-10-12(19)5-2-6-18(11)13(9)10/h1,3-4,7-8H,2,5-6,15H2,(H,16,17,20)
InChIKeyIZMZIGCCFZTUFA-UHFFFAOYSA-N
MW270.29 g/mol
LogP1.25
Rot. Bonds2

About N-methanehydrazonoyl-9-oxo-1-azatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraene-2-carboxamide

N-methanehydrazonoyl-9-oxo-1-azatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraene-2-carboxamide (PubChem CID 139776876) has the molecular formula C14H14N4O2 and a molecular weight of 270.29 g/mol. Its IUPAC name is N-methanehydrazonoyl-9-oxo-1-azatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraene-2-carboxamide.

Molecular Properties

Compound NameN-methanehydrazonoyl-9-oxo-1-azatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraene-2-carboxamide
PubChem CID139776876
Molecular FormulaC14H14N4O2
Molecular Weight270.29 g/mol
Exact Mass270.11
IUPAC NameN-methanehydrazonoyl-9-oxo-1-azatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraene-2-carboxamide
SMILESNN=CNC(=O)c1cc2cccc3c2n1CCCC3=O
InChIInChI=1S/C14H14N4O2/c15-17-8-16-14(20)11-7-9-3-1-4-10-12(19)5-2-6-18(11)13(9)10/h1,3-4,7-8H,2,5-6,15H2,(H,16,17,20)
InChIKeyIZMZIGCCFZTUFA-UHFFFAOYSA-N
XLogP1.25
TPSA89.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5,6-difluoro-N-methanehydrazonoyl-9-oxo-1-azatricyclo[6.5.1.04,14]tetradeca-2,4(14),5,7-tetraene-2-carboxamide;methanesulfonic acid
CID 159940538
2-methyl-1-azatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraen-9-one
CID 131864653
5-chloro-N-methanehydrazonoyl-1-azatricyclo[6.5.1.04,14]tetradeca-2,4,6,8(14),9-pentaene-2-carboxamide;methanesulfonic acid
CID 159686295
7-(1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraene-2-carbonylamino)heptanoic acid
CID 59535511
3-(2-oxo-1-azatricyclo[7.3.1.05,13]trideca-3,5(13),6,8-tetraen-3-yl)prop-2-enoic acid
CID 2736144
N-(diaminomethylidene)-4-azatricyclo[5.3.1.04,11]undeca-1(11),2,7,9-tetraene-3-carboxamide
CID 20676360
N-cyclohexyl-2-oxo-1-azatricyclo[7.3.1.05,13]trideca-3,5(13),6,8-tetraene-3-carboxamide
CID 4153589
4-propan-2-yl-7,8-dihydro-6H-pyrido[1,2-a]indol-9-one
CID 158802884
3,7-dimethyl-10,14-diazapentacyclo[12.6.1.02,10.04,9.017,21]henicosa-1(20),2,4(9),5,7,15,17(21),18-octaene-15-carboxylic acid;ethane
CID 91074864
2-(4,5-dimethylfuran-2-yl)-1,3-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-9-one
CID 58890844
1,3-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene-2,9-dione;(10Z)-10-hydroxyimino-1,3-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene-2,9-dione;methane
CID 172922905
1-methyl-7-phenylindole-2-carboxylic acid
CID 171663138

Frequently Asked Questions

What is the IUPAC name of N-methanehydrazonoyl-9-oxo-1-azatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraene-2-carboxamide?
The IUPAC name of N-methanehydrazonoyl-9-oxo-1-azatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraene-2-carboxamide (CID 139776876) is N-methanehydrazonoyl-9-oxo-1-azatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraene-2-carboxamide.
What is the SMILES notation for N-methanehydrazonoyl-9-oxo-1-azatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraene-2-carboxamide?
The canonical SMILES for N-methanehydrazonoyl-9-oxo-1-azatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraene-2-carboxamide is NN=CNC(=O)c1cc2cccc3c2n1CCCC3=O.
What is the InChIKey of N-methanehydrazonoyl-9-oxo-1-azatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraene-2-carboxamide?
The InChIKey is IZMZIGCCFZTUFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O2/c15-17-8-16-14(20)11-7-9-3-1-4-10-12(19)5-2-6-18(11)13(9)10/h1,3-4,7-8H,2,5-6,15H2,(H,16,17,20).
What are the key properties of N-methanehydrazonoyl-9-oxo-1-azatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraene-2-carboxamide?
N-methanehydrazonoyl-9-oxo-1-azatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraene-2-carboxamide has a molecular weight of 270.29 g/mol, XLogP of 1.25, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methanehydrazonoyl-9-oxo-1-azatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraene-2-carboxamide is sourced from PubChem (CID 139776876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).