N-(hydroxymethyl)-6-methyl-1H-indole-2-carboxamide

C11H12N2O2 — CID 177170209

IUPACN-(hydroxymethyl)-6-methyl-1H-indole-2-carboxamide
SMILESCc1ccc2cc(C(=O)NCO)[nH]c2c1
InChIInChI=1S/C11H12N2O2/c1-7-2-3-8-5-10(11(15)12-6-14)13-9(8)4-7/h2-5,13-14H,6H2,1H3,(H,12,15)
InChIKeyMYEFPRZRKYHXBY-UHFFFAOYSA-N
MW204.23 g/mol
LogP1.16
Rot. Bonds2

About N-(hydroxymethyl)-6-methyl-1H-indole-2-carboxamide

N-(hydroxymethyl)-6-methyl-1H-indole-2-carboxamide (PubChem CID 177170209) has the molecular formula C11H12N2O2 and a molecular weight of 204.23 g/mol. Its IUPAC name is N-(hydroxymethyl)-6-methyl-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-(hydroxymethyl)-6-methyl-1H-indole-2-carboxamide
PubChem CID177170209
Molecular FormulaC11H12N2O2
Molecular Weight204.23 g/mol
Exact Mass204.09
IUPAC NameN-(hydroxymethyl)-6-methyl-1H-indole-2-carboxamide
SMILESCc1ccc2cc(C(=O)NCO)[nH]c2c1
InChIInChI=1S/C11H12N2O2/c1-7-2-3-8-5-10(11(15)12-6-14)13-9(8)4-7/h2-5,13-14H,6H2,1H3,(H,12,15)
InChIKeyMYEFPRZRKYHXBY-UHFFFAOYSA-N
XLogP1.16
TPSA65.12 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 51.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-(2-hydroxyethyl)-5-methyl-1H-indole-2-carboxamide
CID 89488958
N-(2-hydroxy-2,3-dimethylbutyl)-6-methyl-1H-indole-2-carboxamide
CID 111484272
6-methyl-N-propan-2-yl-1H-indole-2-carboxamide
CID 110847855
N-[(3,4-dimethoxyphenyl)methyl]-6-methyl-1H-indole-2-carboxamide
CID 113207316
N-[2-[(3-fluoro-4-methylbenzoyl)amino]ethyl]-6-methyl-1H-indole-2-carboxamide
CID 55555806
6-methyl-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]-1H-indole-2-carboxamide
CID 55555913
N-[2-(2-fluorophenyl)ethyl]-6-methyl-1H-indole-2-carboxamide
CID 113207305
N-(2,6-dimethylphenyl)-6-methyl-1H-indole-2-carboxamide
CID 113207344
N-[(3-bromo-5-fluorophenyl)methyl]-6-methyl-1H-indole-2-carboxamide
CID 55953581
6-methyl-N-[2-(4-methylpiperazin-1-yl)propyl]-1H-indole-2-carboxamide
CID 56823834
N-[[(3R)-1,1-dioxothiolan-3-yl]methyl]-6-methyl-1H-indole-2-carboxamide
CID 94020775
5-methyl-N-prop-2-enyl-1H-indole-2-carboxamide
CID 4011828

Frequently Asked Questions

What is the IUPAC name of N-(hydroxymethyl)-6-methyl-1H-indole-2-carboxamide?
The IUPAC name of N-(hydroxymethyl)-6-methyl-1H-indole-2-carboxamide (CID 177170209) is N-(hydroxymethyl)-6-methyl-1H-indole-2-carboxamide.
What is the SMILES notation for N-(hydroxymethyl)-6-methyl-1H-indole-2-carboxamide?
The canonical SMILES for N-(hydroxymethyl)-6-methyl-1H-indole-2-carboxamide is Cc1ccc2cc(C(=O)NCO)[nH]c2c1.
What is the InChIKey of N-(hydroxymethyl)-6-methyl-1H-indole-2-carboxamide?
The InChIKey is MYEFPRZRKYHXBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2/c1-7-2-3-8-5-10(11(15)12-6-14)13-9(8)4-7/h2-5,13-14H,6H2,1H3,(H,12,15).
What are the key properties of N-(hydroxymethyl)-6-methyl-1H-indole-2-carboxamide?
N-(hydroxymethyl)-6-methyl-1H-indole-2-carboxamide has a molecular weight of 204.23 g/mol, XLogP of 1.16, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(hydroxymethyl)-6-methyl-1H-indole-2-carboxamide is sourced from PubChem (CID 177170209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).