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

C13H14N2O2 — CID 113206506

IUPAC6-methoxy-N-prop-2-enyl-1H-indole-3-carboxamide
SMILESC=CCNC(=O)c1c[nH]c2cc(OC)ccc12
InChIInChI=1S/C13H14N2O2/c1-3-6-14-13(16)11-8-15-12-7-9(17-2)4-5-10(11)12/h3-5,7-8,15H,1,6H2,2H3,(H,14,16)
InChIKeyXIKDFOAZIKMISQ-UHFFFAOYSA-N
MW230.27 g/mol
LogP2.09
Rot. Bonds4

About 6-methoxy-N-prop-2-enyl-1H-indole-3-carboxamide

6-methoxy-N-prop-2-enyl-1H-indole-3-carboxamide (PubChem CID 113206506) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is 6-methoxy-N-prop-2-enyl-1H-indole-3-carboxamide.

Molecular Properties

Compound Name6-methoxy-N-prop-2-enyl-1H-indole-3-carboxamide
PubChem CID113206506
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC Name6-methoxy-N-prop-2-enyl-1H-indole-3-carboxamide
SMILESC=CCNC(=O)c1c[nH]c2cc(OC)ccc12
InChIInChI=1S/C13H14N2O2/c1-3-6-14-13(16)11-8-15-12-7-9(17-2)4-5-10(11)12/h3-5,7-8,15H,1,6H2,2H3,(H,14,16)
InChIKeyXIKDFOAZIKMISQ-UHFFFAOYSA-N
XLogP2.09
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-methoxy-N-[(4-methoxyphenyl)methyl]-1H-indole-3-carboxamide
CID 113206539
N-butyl-6-methoxy-1H-indole-3-carboxamide
CID 113206507
6-methoxy-N-[(2-methylphenyl)methyl]-1H-indole-3-carboxamide
CID 113206529
N-[(4-chlorophenyl)methyl]-6-methoxy-1H-indole-3-carboxamide
CID 113206537
N-prop-2-enyl-1H-indole-3-carboxamide
CID 43399249
N-[2-(3,4-dimethoxyphenyl)ethyl]-6-methoxy-1H-indole-3-carboxamide
CID 113206560
2,2,2-trifluoro-1-(6-methoxy-1H-indol-3-yl)ethanone
CID 22497238
N-[3-(diethylamino)propyl]-7-methoxy-4-oxo-1H-quinoline-3-carboxamide
CID 78323048
6-methoxy-N-[4-(trifluoromethyl)phenyl]-1H-indole-3-carboxamide
CID 113206647
6-methoxy-N-(4-phenylmethoxyphenyl)-1H-indole-3-carboxamide
CID 113206666
6-chloro-N-[2-(4-methoxyphenyl)ethyl]-1H-indole-3-carboxamide
CID 113206381
N-(2-hydroxyethyl)-6-methoxy-4-oxo-1H-quinoline-3-carboxamide
CID 43813799

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N-prop-2-enyl-1H-indole-3-carboxamide?
The IUPAC name of 6-methoxy-N-prop-2-enyl-1H-indole-3-carboxamide (CID 113206506) is 6-methoxy-N-prop-2-enyl-1H-indole-3-carboxamide.
What is the SMILES notation for 6-methoxy-N-prop-2-enyl-1H-indole-3-carboxamide?
The canonical SMILES for 6-methoxy-N-prop-2-enyl-1H-indole-3-carboxamide is C=CCNC(=O)c1c[nH]c2cc(OC)ccc12.
What is the InChIKey of 6-methoxy-N-prop-2-enyl-1H-indole-3-carboxamide?
The InChIKey is XIKDFOAZIKMISQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2/c1-3-6-14-13(16)11-8-15-12-7-9(17-2)4-5-10(11)12/h3-5,7-8,15H,1,6H2,2H3,(H,14,16).
What are the key properties of 6-methoxy-N-prop-2-enyl-1H-indole-3-carboxamide?
6-methoxy-N-prop-2-enyl-1H-indole-3-carboxamide has a molecular weight of 230.27 g/mol, XLogP of 2.09, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N-prop-2-enyl-1H-indole-3-carboxamide is sourced from PubChem (CID 113206506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).