5-methyl-N-prop-2-enyl-1H-indole-2-carboxamide

C13H14N2O — CID 4011828

IUPAC5-methyl-N-prop-2-enyl-1H-indole-2-carboxamide
SMILESC=CCNC(=O)c1cc2cc(C)ccc2[nH]1
InChIInChI=1S/C13H14N2O/c1-3-6-14-13(16)12-8-10-7-9(2)4-5-11(10)15-12/h3-5,7-8,15H,1,6H2,2H3,(H,14,16)
InChIKeyFRXGDVMMDWVQBI-UHFFFAOYSA-N
MW214.27 g/mol
LogP2.39
Rot. Bonds3

About 5-methyl-N-prop-2-enyl-1H-indole-2-carboxamide

5-methyl-N-prop-2-enyl-1H-indole-2-carboxamide (PubChem CID 4011828) has the molecular formula C13H14N2O and a molecular weight of 214.27 g/mol. Its IUPAC name is 5-methyl-N-prop-2-enyl-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-methyl-N-prop-2-enyl-1H-indole-2-carboxamide
PubChem CID4011828
Molecular FormulaC13H14N2O
Molecular Weight214.27 g/mol
Exact Mass214.11
IUPAC Name5-methyl-N-prop-2-enyl-1H-indole-2-carboxamide
SMILESC=CCNC(=O)c1cc2cc(C)ccc2[nH]1
InChIInChI=1S/C13H14N2O/c1-3-6-14-13(16)12-8-10-7-9(2)4-5-11(10)15-12/h3-5,7-8,15H,1,6H2,2H3,(H,14,16)
InChIKeyFRXGDVMMDWVQBI-UHFFFAOYSA-N
XLogP2.39
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(2-hydroxyethyl)-5-methyl-1H-indole-2-carboxamide
CID 89488958
N-[3-(dimethylamino)propyl]-5-methyl-1H-indole-2-carboxamide
CID 113207116
5-methyl-N-phenyl-1H-indole-2-carboxamide
CID 3254922
N-[2-(4-fluorophenyl)ethyl]-5-methyl-1H-indole-2-carboxamide
CID 36704078
N-(hydroxymethyl)-6-methyl-1H-indole-2-carboxamide
CID 177170209
3-(5-methyl-1H-indol-2-yl)-3-oxopropanoic acid
CID 165356574
2-(methylamino)-1-(5-methyl-1H-indol-2-yl)ethanone
CID 82397100
N-(4-acetylphenyl)-5-methyl-1H-indole-2-carboxamide
CID 110861116
5-methyl-N-(N'-methylcarbamimidoyl)-1H-indole-2-carboxamide;hydrochloride
CID 70214938
5-methyl-N-prop-2-enyl-1H-indazole-3-carboxamide
CID 78859111
5-chloro-N-[2-(prop-2-enylcarbamoyl)phenyl]-1H-indole-2-carboxamide
CID 55556193
N-[[4-(methanesulfonamido)phenyl]methyl]-5-methyl-1H-indole-2-carboxamide
CID 47057856

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-prop-2-enyl-1H-indole-2-carboxamide?
The IUPAC name of 5-methyl-N-prop-2-enyl-1H-indole-2-carboxamide (CID 4011828) is 5-methyl-N-prop-2-enyl-1H-indole-2-carboxamide.
What is the SMILES notation for 5-methyl-N-prop-2-enyl-1H-indole-2-carboxamide?
The canonical SMILES for 5-methyl-N-prop-2-enyl-1H-indole-2-carboxamide is C=CCNC(=O)c1cc2cc(C)ccc2[nH]1.
What is the InChIKey of 5-methyl-N-prop-2-enyl-1H-indole-2-carboxamide?
The InChIKey is FRXGDVMMDWVQBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O/c1-3-6-14-13(16)12-8-10-7-9(2)4-5-11(10)15-12/h3-5,7-8,15H,1,6H2,2H3,(H,14,16).
What are the key properties of 5-methyl-N-prop-2-enyl-1H-indole-2-carboxamide?
5-methyl-N-prop-2-enyl-1H-indole-2-carboxamide has a molecular weight of 214.27 g/mol, XLogP of 2.39, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-prop-2-enyl-1H-indole-2-carboxamide is sourced from PubChem (CID 4011828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).