N-[1-(hydroxymethyl)cyclobutyl]-1H-indole-4-carboxamide

C14H16N2O2 — CID 115878331

IUPACN-[1-(hydroxymethyl)cyclobutyl]-1H-indole-4-carboxamide
SMILESO=C(NC1(CO)CCC1)c1cccc2[nH]ccc12
InChIInChI=1S/C14H16N2O2/c17-9-14(6-2-7-14)16-13(18)11-3-1-4-12-10(11)5-8-15-12/h1,3-5,8,15,17H,2,6-7,9H2,(H,16,18)
InChIKeyBDFUAQYFACFRSR-UHFFFAOYSA-N
MW244.29 g/mol
LogP1.81
Rot. Bonds3

About N-[1-(hydroxymethyl)cyclobutyl]-1H-indole-4-carboxamide

N-[1-(hydroxymethyl)cyclobutyl]-1H-indole-4-carboxamide (PubChem CID 115878331) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is N-[1-(hydroxymethyl)cyclobutyl]-1H-indole-4-carboxamide.

Molecular Properties

Compound NameN-[1-(hydroxymethyl)cyclobutyl]-1H-indole-4-carboxamide
PubChem CID115878331
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC NameN-[1-(hydroxymethyl)cyclobutyl]-1H-indole-4-carboxamide
SMILESO=C(NC1(CO)CCC1)c1cccc2[nH]ccc12
InChIInChI=1S/C14H16N2O2/c17-9-14(6-2-7-14)16-13(18)11-3-1-4-12-10(11)5-8-15-12/h1,3-5,8,15,17H,2,6-7,9H2,(H,16,18)
InChIKeyBDFUAQYFACFRSR-UHFFFAOYSA-N
XLogP1.81
TPSA65.12 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 51.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(hydroxymethyl)cyclobutyl]-1H-indole-3-carboxamide
CID 115878291
N-[1-(hydroxymethyl)cyclohexyl]-1H-indole-3-carboxamide
CID 62520393
N-[1-(hydroxymethyl)cyclopentyl]-4-oxo-1H-quinoline-3-carboxamide
CID 62519123
N-(4-methyloxan-4-yl)-1H-indole-4-carboxamide
CID 115759557
1H-indole-4-carbohydrazide
CID 43316644
N-[(1-ethylcyclobutyl)methyl]-1H-indole-4-carboxamide
CID 103741634
2-(1H-indole-4-carbonylamino)-1,3-dihydroindene-2-carboxylic acid
CID 59314163
N-[1-(hydroxymethyl)cyclopentyl]-2-oxo-1H-quinoline-4-carboxamide
CID 62517694
N-(3-methyl-1,1-dioxothiolan-3-yl)-1H-indole-4-carboxamide
CID 61275040
N-cyclopentyl-1H-indole-4-carboxamide
CID 43582325
2,3-dichloro-N-[1-(hydroxymethyl)cyclopentyl]benzamide
CID 55081718
(2S)-2-(1H-indole-4-carbonylamino)propanoic acid
CID 93286189

Frequently Asked Questions

What is the IUPAC name of N-[1-(hydroxymethyl)cyclobutyl]-1H-indole-4-carboxamide?
The IUPAC name of N-[1-(hydroxymethyl)cyclobutyl]-1H-indole-4-carboxamide (CID 115878331) is N-[1-(hydroxymethyl)cyclobutyl]-1H-indole-4-carboxamide.
What is the SMILES notation for N-[1-(hydroxymethyl)cyclobutyl]-1H-indole-4-carboxamide?
The canonical SMILES for N-[1-(hydroxymethyl)cyclobutyl]-1H-indole-4-carboxamide is O=C(NC1(CO)CCC1)c1cccc2[nH]ccc12.
What is the InChIKey of N-[1-(hydroxymethyl)cyclobutyl]-1H-indole-4-carboxamide?
The InChIKey is BDFUAQYFACFRSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c17-9-14(6-2-7-14)16-13(18)11-3-1-4-12-10(11)5-8-15-12/h1,3-5,8,15,17H,2,6-7,9H2,(H,16,18).
What are the key properties of N-[1-(hydroxymethyl)cyclobutyl]-1H-indole-4-carboxamide?
N-[1-(hydroxymethyl)cyclobutyl]-1H-indole-4-carboxamide has a molecular weight of 244.29 g/mol, XLogP of 1.81, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(hydroxymethyl)cyclobutyl]-1H-indole-4-carboxamide is sourced from PubChem (CID 115878331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).