N-(propan-2-ylideneamino)-1H-indole-3-carboxamide

C12H13N3O — CID 3706712

IUPACN-(propan-2-ylideneamino)-1H-indole-3-carboxamide
SMILESCC(C)=NNC(=O)c1c[nH]c2ccccc12
InChIInChI=1S/C12H13N3O/c1-8(2)14-15-12(16)10-7-13-11-6-4-3-5-9(10)11/h3-7,13H,1-2H3,(H,15,16)
InChIKeyQGITUWHEZBGPJI-UHFFFAOYSA-N
MW215.26 g/mol
LogP2.29
Rot. Bonds2

About N-(propan-2-ylideneamino)-1H-indole-3-carboxamide

N-(propan-2-ylideneamino)-1H-indole-3-carboxamide (PubChem CID 3706712) has the molecular formula C12H13N3O and a molecular weight of 215.26 g/mol. Its IUPAC name is N-(propan-2-ylideneamino)-1H-indole-3-carboxamide.

Molecular Properties

Compound NameN-(propan-2-ylideneamino)-1H-indole-3-carboxamide
PubChem CID3706712
Molecular FormulaC12H13N3O
Molecular Weight215.26 g/mol
Exact Mass215.11
IUPAC NameN-(propan-2-ylideneamino)-1H-indole-3-carboxamide
SMILESCC(C)=NNC(=O)c1c[nH]c2ccccc12
InChIInChI=1S/C12H13N3O/c1-8(2)14-15-12(16)10-7-13-11-6-4-3-5-9(10)11/h3-7,13H,1-2H3,(H,15,16)
InChIKeyQGITUWHEZBGPJI-UHFFFAOYSA-N
XLogP2.29
TPSA57.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.26
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(heptan-4-ylideneamino)-1H-indole-3-carboxamide
CID 5146585
N-[1-(4-fluorophenyl)ethylideneamino]-1H-indole-3-carboxamide
CID 3109037
2-hydroxy-N-[(Z)-1-(1H-indol-3-yl)ethylideneamino]benzamide
CID 136801988
N-[1-(furan-2-yl)ethylideneamino]-1H-indole-3-carboxamide
CID 807650
N-[(E)-1-(furan-2-yl)ethylideneamino]-1H-indole-3-carboxamide
CID 5340769
N-[1-(4-ethylphenyl)ethylideneamino]-1H-indole-3-carboxamide
CID 3447704
N-[(Z)-1-(5-methylfuran-2-yl)ethylideneamino]-1H-indole-3-carboxamide
CID 5411742
N-[(Z)-1-(3-bromophenyl)ethylideneamino]-1H-indole-3-carboxamide
CID 6242879
N'-acetyl-1H-indole-3-carbohydrazide
CID 4271892
(4Z)-4-(1H-indole-3-carbonylhydrazinylidene)-4-phenylbutanoic acid
CID 5342175
N-[1-(4-chlorophenyl)propylideneamino]-1H-indole-3-carboxamide
CID 5011470
N-[(Z)-1-(2,5-dimethoxyphenyl)ethylideneamino]-1H-indole-3-carboxamide
CID 6260157

Frequently Asked Questions

What is the IUPAC name of N-(propan-2-ylideneamino)-1H-indole-3-carboxamide?
The IUPAC name of N-(propan-2-ylideneamino)-1H-indole-3-carboxamide (CID 3706712) is N-(propan-2-ylideneamino)-1H-indole-3-carboxamide.
What is the SMILES notation for N-(propan-2-ylideneamino)-1H-indole-3-carboxamide?
The canonical SMILES for N-(propan-2-ylideneamino)-1H-indole-3-carboxamide is CC(C)=NNC(=O)c1c[nH]c2ccccc12.
What is the InChIKey of N-(propan-2-ylideneamino)-1H-indole-3-carboxamide?
The InChIKey is QGITUWHEZBGPJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O/c1-8(2)14-15-12(16)10-7-13-11-6-4-3-5-9(10)11/h3-7,13H,1-2H3,(H,15,16).
What are the key properties of N-(propan-2-ylideneamino)-1H-indole-3-carboxamide?
N-(propan-2-ylideneamino)-1H-indole-3-carboxamide has a molecular weight of 215.26 g/mol, XLogP of 2.29, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(propan-2-ylideneamino)-1H-indole-3-carboxamide is sourced from PubChem (CID 3706712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).