cyclobutyl(1H-indol-2-yl)methanone

C13H13NO — CID 129170874

IUPACcyclobutyl(1H-indol-2-yl)methanone
SMILESO=C(c1cc2ccccc2[nH]1)C1CCC1
InChIInChI=1S/C13H13NO/c15-13(9-5-3-6-9)12-8-10-4-1-2-7-11(10)14-12/h1-2,4,7-9,14H,3,5-6H2
InChIKeyJWQUJRGOQCOTQM-UHFFFAOYSA-N
MW199.25 g/mol
LogP3.15
Rot. Bonds2

About cyclobutyl(1H-indol-2-yl)methanone

cyclobutyl(1H-indol-2-yl)methanone (PubChem CID 129170874) has the molecular formula C13H13NO and a molecular weight of 199.25 g/mol. Its IUPAC name is cyclobutyl(1H-indol-2-yl)methanone.

Molecular Properties

Compound Namecyclobutyl(1H-indol-2-yl)methanone
PubChem CID129170874
Molecular FormulaC13H13NO
Molecular Weight199.25 g/mol
Exact Mass199.10
IUPAC Namecyclobutyl(1H-indol-2-yl)methanone
SMILESO=C(c1cc2ccccc2[nH]1)C1CCC1
InChIInChI=1S/C13H13NO/c15-13(9-5-3-6-9)12-8-10-4-1-2-7-11(10)14-12/h1-2,4,7-9,14H,3,5-6H2
InChIKeyJWQUJRGOQCOTQM-UHFFFAOYSA-N
XLogP3.15
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

cyclobutyl-(5-methoxy-1H-indol-2-yl)methanone
CID 10955347
1H-indole-2-carbothioic S-acid
CID 4713092
1-(1H-indole-2-carbonyl)piperidine-2-carboxylic acid
CID 43187100
ethane;1H-indole-2-carboxylic acid
CID 91052830
(2-bromopyrrolidin-1-yl)-(1H-indol-2-yl)methanone
CID 90014378
N-(dicyclopropylmethyl)-1H-indole-2-carboxamide
CID 47143820
[4-(1H-indole-2-carbonyl)piperazin-1-yl]-piperidin-3-ylmethanone
CID 119314153
1H-indol-2-yl-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 56820473
[(1S)-2-oxocyclohexyl] 1H-indole-2-carboxylate
CID 8013052
N-[4-(1H-indol-2-yl)phenyl]cyclobutanecarboxamide
CID 20934546
(3R)-1-(1H-indole-2-carbonyl)-N-phenylpiperidine-3-carboxamide
CID 41129779
N-[2-(cyclopentanecarbonylamino)-5-methylphenyl]-1H-indole-2-carboxamide
CID 131946892

Frequently Asked Questions

What is the IUPAC name of cyclobutyl(1H-indol-2-yl)methanone?
The IUPAC name of cyclobutyl(1H-indol-2-yl)methanone (CID 129170874) is cyclobutyl(1H-indol-2-yl)methanone.
What is the SMILES notation for cyclobutyl(1H-indol-2-yl)methanone?
The canonical SMILES for cyclobutyl(1H-indol-2-yl)methanone is O=C(c1cc2ccccc2[nH]1)C1CCC1.
What is the InChIKey of cyclobutyl(1H-indol-2-yl)methanone?
The InChIKey is JWQUJRGOQCOTQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO/c15-13(9-5-3-6-9)12-8-10-4-1-2-7-11(10)14-12/h1-2,4,7-9,14H,3,5-6H2.
What are the key properties of cyclobutyl(1H-indol-2-yl)methanone?
cyclobutyl(1H-indol-2-yl)methanone has a molecular weight of 199.25 g/mol, XLogP of 3.15, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutyl(1H-indol-2-yl)methanone is sourced from PubChem (CID 129170874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).