N-prop-2-enyl-1H-indole-3-carboxamide

C12H12N2O — CID 43399249

IUPACN-prop-2-enyl-1H-indole-3-carboxamide
SMILESC=CCNC(=O)c1c[nH]c2ccccc12
InChIInChI=1S/C12H12N2O/c1-2-7-13-12(15)10-8-14-11-6-4-3-5-9(10)11/h2-6,8,14H,1,7H2,(H,13,15)
InChIKeyHOGLTOIIKHWQAD-UHFFFAOYSA-N
MW200.24 g/mol
LogP2.08
Rot. Bonds3

About N-prop-2-enyl-1H-indole-3-carboxamide

N-prop-2-enyl-1H-indole-3-carboxamide (PubChem CID 43399249) has the molecular formula C12H12N2O and a molecular weight of 200.24 g/mol. Its IUPAC name is N-prop-2-enyl-1H-indole-3-carboxamide.

Molecular Properties

Compound NameN-prop-2-enyl-1H-indole-3-carboxamide
PubChem CID43399249
Molecular FormulaC12H12N2O
Molecular Weight200.24 g/mol
Exact Mass200.09
IUPAC NameN-prop-2-enyl-1H-indole-3-carboxamide
SMILESC=CCNC(=O)c1c[nH]c2ccccc12
InChIInChI=1S/C12H12N2O/c1-2-7-13-12(15)10-8-14-11-6-4-3-5-9(10)11/h2-6,8,14H,1,7H2,(H,13,15)
InChIKeyHOGLTOIIKHWQAD-UHFFFAOYSA-N
XLogP2.08
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-prop-2-enyl-1H-indole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-prop-2-enyl-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
CID 110474918
6-methoxy-N-prop-2-enyl-1H-indole-3-carboxamide
CID 113206506
1-N-[2-(1H-indol-3-yl)ethyl]-4-N-prop-2-enylbenzene-1,4-dicarboxamide
CID 109043503
methyl 2-(1H-indole-3-carbonylamino)acetate
CID 43406378
prop-2-enyl 2-(1H-indol-3-yl)-2-oxoacetate
CID 15093890
1-(1H-indol-3-yl)prop-2-en-1-one
CID 15122794
N-(3-methyl-2-oxobutyl)-1H-indole-3-carboxamide
CID 59531603
N-[2-(furan-2-carbonylamino)ethyl]-1H-indole-3-carboxamide
CID 42581260
1-N-[2-(1H-indol-3-yl)ethyl]-3-N-prop-2-enylbenzene-1,3-dicarboxamide
CID 109050911
N-(4-phenylphenyl)-1H-indole-3-carboxamide
CID 17447542
N-(2-hydroxy-3-methylbutyl)-1H-indole-3-carboxamide
CID 113268799
N-(2-methylbutyl)-1H-indole-3-carboxamide
CID 62694409

Frequently Asked Questions

What is the IUPAC name of N-prop-2-enyl-1H-indole-3-carboxamide?
The IUPAC name of N-prop-2-enyl-1H-indole-3-carboxamide (CID 43399249) is N-prop-2-enyl-1H-indole-3-carboxamide.
What is the SMILES notation for N-prop-2-enyl-1H-indole-3-carboxamide?
The canonical SMILES for N-prop-2-enyl-1H-indole-3-carboxamide is C=CCNC(=O)c1c[nH]c2ccccc12.
What is the InChIKey of N-prop-2-enyl-1H-indole-3-carboxamide?
The InChIKey is HOGLTOIIKHWQAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O/c1-2-7-13-12(15)10-8-14-11-6-4-3-5-9(10)11/h2-6,8,14H,1,7H2,(H,13,15).
What are the key properties of N-prop-2-enyl-1H-indole-3-carboxamide?
N-prop-2-enyl-1H-indole-3-carboxamide has a molecular weight of 200.24 g/mol, XLogP of 2.08, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-enyl-1H-indole-3-carboxamide is sourced from PubChem (CID 43399249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).