N-[[(1S,5S)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-1H-indole-3-carboxamide

C16H15N3O — CID 129438858

IUPACN-[[(1S,5S)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-1H-indole-3-carboxamide
SMILESO=C(NN=C1C[C@H]2C=CC[C@H]12)c1c[nH]c2ccccc12
InChIInChI=1S/C16H15N3O/c20-16(13-9-17-14-7-2-1-5-12(13)14)19-18-15-8-10-4-3-6-11(10)15/h1-5,7,9-11,17H,6,8H2,(H,19,20)/t10-,11+/m1/s1
InChIKeyJALLLIKXFDZDCP-MNOVXSKESA-N
MW265.32 g/mol
LogP2.85
Rot. Bonds2

About N-[[(1S,5S)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-1H-indole-3-carboxamide

N-[[(1S,5S)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-1H-indole-3-carboxamide (PubChem CID 129438858) has the molecular formula C16H15N3O and a molecular weight of 265.32 g/mol. Its IUPAC name is N-[[(1S,5S)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-1H-indole-3-carboxamide.

Molecular Properties

Compound NameN-[[(1S,5S)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-1H-indole-3-carboxamide
PubChem CID129438858
Molecular FormulaC16H15N3O
Molecular Weight265.32 g/mol
Exact Mass265.12
IUPAC NameN-[[(1S,5S)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-1H-indole-3-carboxamide
SMILESO=C(NN=C1C[C@H]2C=CC[C@H]12)c1c[nH]c2ccccc12
InChIInChI=1S/C16H15N3O/c20-16(13-9-17-14-7-2-1-5-12(13)14)19-18-15-8-10-4-3-6-11(10)15/h1-5,7,9-11,17H,6,8H2,(H,19,20)/t10-,11+/m1/s1
InChIKeyJALLLIKXFDZDCP-MNOVXSKESA-N
XLogP2.85
TPSA57.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(6-bicyclo[3.2.0]hept-2-enylideneamino)-2-phenylacetamide
CID 3745194
N-[(E)-6-bicyclo[3.2.0]hept-2-enylideneamino]furan-2-carboxamide
CID 6001760
N-[(Z)-[(1R,5S)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-2,5-dimethylfuran-3-carboxamide
CID 8518841
N-(propan-2-ylideneamino)-1H-indole-3-carboxamide
CID 3706712
N-(3,4-dihydro-2H-naphthalen-1-ylideneamino)-1H-indole-3-carboxamide
CID 840700
N-[(4-propylcyclohexylidene)amino]-1H-indole-3-carboxamide
CID 5142375
4-amino-N-[(Z)-[(1R,5R)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-3,5,6-trichloropyridine-2-carboxamide
CID 9214710
N-[(Z)-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]methylideneamino]-1H-indole-3-carboxamide
CID 6545059
N-(4-aminocyclohexyl)-1H-indole-3-carboxamide
CID 62321120
N-(heptan-4-ylideneamino)-1H-indole-3-carboxamide
CID 5146585
N-(2-hydroxycyclohexyl)-1H-indole-3-carboxamide
CID 55064120
N-[(Z)-(2-hydroxyphenyl)methylideneamino]-1H-indole-3-carboxamide
CID 136661289

Frequently Asked Questions

What is the IUPAC name of N-[[(1S,5S)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-1H-indole-3-carboxamide?
The IUPAC name of N-[[(1S,5S)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-1H-indole-3-carboxamide (CID 129438858) is N-[[(1S,5S)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-1H-indole-3-carboxamide.
What is the SMILES notation for N-[[(1S,5S)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-1H-indole-3-carboxamide?
The canonical SMILES for N-[[(1S,5S)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-1H-indole-3-carboxamide is O=C(NN=C1C[C@H]2C=CC[C@H]12)c1c[nH]c2ccccc12.
What is the InChIKey of N-[[(1S,5S)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-1H-indole-3-carboxamide?
The InChIKey is JALLLIKXFDZDCP-MNOVXSKESA-N. The full InChI is InChI=1S/C16H15N3O/c20-16(13-9-17-14-7-2-1-5-12(13)14)19-18-15-8-10-4-3-6-11(10)15/h1-5,7,9-11,17H,6,8H2,(H,19,20)/t10-,11+/m1/s1.
What are the key properties of N-[[(1S,5S)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-1H-indole-3-carboxamide?
N-[[(1S,5S)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-1H-indole-3-carboxamide has a molecular weight of 265.32 g/mol, XLogP of 2.85, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(1S,5S)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-1H-indole-3-carboxamide is sourced from PubChem (CID 129438858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).