2-(hydroxymethyl)-2,3-dihydro-1H-indole-6-carboxamide

C10H12N2O2 — CID 130040098

IUPAC2-(hydroxymethyl)-2,3-dihydro-1H-indole-6-carboxamide
SMILESNC(=O)c1ccc2c(c1)NC(CO)C2
InChIInChI=1S/C10H12N2O2/c11-10(14)7-2-1-6-3-8(5-13)12-9(6)4-7/h1-2,4,8,12-13H,3,5H2,(H2,11,14)
InChIKeyVLPMKSACROANPK-UHFFFAOYSA-N
MW192.22 g/mol
LogP0.11
Rot. Bonds2

About 2-(hydroxymethyl)-2,3-dihydro-1H-indole-6-carboxamide

2-(hydroxymethyl)-2,3-dihydro-1H-indole-6-carboxamide (PubChem CID 130040098) has the molecular formula C10H12N2O2 and a molecular weight of 192.22 g/mol. Its IUPAC name is 2-(hydroxymethyl)-2,3-dihydro-1H-indole-6-carboxamide.

Molecular Properties

Compound Name2-(hydroxymethyl)-2,3-dihydro-1H-indole-6-carboxamide
PubChem CID130040098
Molecular FormulaC10H12N2O2
Molecular Weight192.22 g/mol
Exact Mass192.09
IUPAC Name2-(hydroxymethyl)-2,3-dihydro-1H-indole-6-carboxamide
SMILESNC(=O)c1ccc2c(c1)NC(CO)C2
InChIInChI=1S/C10H12N2O2/c11-10(14)7-2-1-6-3-8(5-13)12-9(6)4-7/h1-2,4,8,12-13H,3,5H2,(H2,11,14)
InChIKeyVLPMKSACROANPK-UHFFFAOYSA-N
XLogP0.11
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 50.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

[(2R)-6-ethenyl-2,3-dihydro-1H-indol-2-yl]methanol
CID 130684049
(2S)-2-decyl-2,3-dihydro-1H-indole-6-carboxylic acid
CID 70486702
[(2R)-5-iodo-2,3-dihydro-1H-indol-2-yl]methanol
CID 130722404
(3R)-3-methyl-1,2,3,4-tetrahydroisoquinoline-6-carboxamide
CID 130658829
1,2,3,4-tetrahydroquinoxaline-6-carboxamide
CID 69495489
5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 25958
6,11-dihydro-5H-benzo[b][1]benzazepine-2-carboxamide
CID 91028665
2-sulfanylidene-3,4-dihydro-1H-quinazoline-7-carboxamide
CID 90749748
2-(hydroxymethyl)-1-propan-2-yl-2,3-dihydroindole-5-carboxamide
CID 155591610
1,2,3,4-tetrahydroisoquinoline-7-carboxamide;hydrochloride
CID 121334078
7-amino-8,8-diethyl-6-methyl-6,7-dihydro-5H-naphthalene-2-carboxamide
CID 130285552
(2R)-2-(2-hydroxy-5,6-dimethylhept-5-en-2-yl)-2,3-dihydro-1H-indole-5-carboxamide
CID 139585722

Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-2,3-dihydro-1H-indole-6-carboxamide?
The IUPAC name of 2-(hydroxymethyl)-2,3-dihydro-1H-indole-6-carboxamide (CID 130040098) is 2-(hydroxymethyl)-2,3-dihydro-1H-indole-6-carboxamide.
What is the SMILES notation for 2-(hydroxymethyl)-2,3-dihydro-1H-indole-6-carboxamide?
The canonical SMILES for 2-(hydroxymethyl)-2,3-dihydro-1H-indole-6-carboxamide is NC(=O)c1ccc2c(c1)NC(CO)C2.
What is the InChIKey of 2-(hydroxymethyl)-2,3-dihydro-1H-indole-6-carboxamide?
The InChIKey is VLPMKSACROANPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O2/c11-10(14)7-2-1-6-3-8(5-13)12-9(6)4-7/h1-2,4,8,12-13H,3,5H2,(H2,11,14).
What are the key properties of 2-(hydroxymethyl)-2,3-dihydro-1H-indole-6-carboxamide?
2-(hydroxymethyl)-2,3-dihydro-1H-indole-6-carboxamide has a molecular weight of 192.22 g/mol, XLogP of 0.11, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-2,3-dihydro-1H-indole-6-carboxamide is sourced from PubChem (CID 130040098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).