1-(2-cyclobutylpyrrolidin-1-yl)-2-(1-hydroxycyclohexyl)ethanone

C16H27NO2 — CID 111537997

IUPAC1-(2-cyclobutylpyrrolidin-1-yl)-2-(1-hydroxycyclohexyl)ethanone
SMILESO=C(CC1(O)CCCCC1)N1CCCC1C1CCC1
InChIInChI=1S/C16H27NO2/c18-15(12-16(19)9-2-1-3-10-16)17-11-5-8-14(17)13-6-4-7-13/h13-14,19H,1-12H2
InChIKeySQVNLYNGAAJRFA-UHFFFAOYSA-N
MW265.40 g/mol
LogP2.86
Rot. Bonds3

About 1-(2-cyclobutylpyrrolidin-1-yl)-2-(1-hydroxycyclohexyl)ethanone

1-(2-cyclobutylpyrrolidin-1-yl)-2-(1-hydroxycyclohexyl)ethanone (PubChem CID 111537997) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is 1-(2-cyclobutylpyrrolidin-1-yl)-2-(1-hydroxycyclohexyl)ethanone.

Molecular Properties

Compound Name1-(2-cyclobutylpyrrolidin-1-yl)-2-(1-hydroxycyclohexyl)ethanone
PubChem CID111537997
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC Name1-(2-cyclobutylpyrrolidin-1-yl)-2-(1-hydroxycyclohexyl)ethanone
SMILESO=C(CC1(O)CCCCC1)N1CCCC1C1CCC1
InChIInChI=1S/C16H27NO2/c18-15(12-16(19)9-2-1-3-10-16)17-11-5-8-14(17)13-6-4-7-13/h13-14,19H,1-12H2
InChIKeySQVNLYNGAAJRFA-UHFFFAOYSA-N
XLogP2.86
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-2-(1-aminocyclopentyl)ethanone
CID 82746412
1-[2-(1-hydroxycyclopentyl)acetyl]pyrrolidine-2-carboxamide
CID 111538013
2-amino-1-(2-cyclohexylpyrrolidin-1-yl)ethanone
CID 60946954
1,4-bis(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)butane-1,4-dione
CID 66795041
2-(1-hydroxycyclohexyl)-1-[2-(5-methylthiophen-2-yl)pyrrolidin-1-yl]ethanone
CID 111538762
2-(1-hydroxycyclohexyl)-1-[2-(4-methoxyphenyl)pyrrolidin-1-yl]ethanone
CID 111432185
2-cyclohexyl-1-[4-[2-(1-hydroxycyclopentyl)acetyl]piperazin-1-yl]ethanone
CID 111537735
3-amino-1-(2-cyclohexylpyrrolidin-1-yl)propan-1-one;hydrochloride
CID 119288477
1-[2-(1-hydroxycyclohexyl)acetyl]-N-methylpiperidine-2-carboxamide
CID 111536630
1-(2-cyclohexylpyrrolidin-1-yl)-2-(1,1-dioxothiolan-3-yl)ethanone
CID 56816745
1-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-4-amino-3-methylbutan-1-one
CID 81080546
2-(1-hydroxycyclohexyl)-1-[2-(2-hydroxy-2-phenylethyl)pyrrolidin-1-yl]ethanone
CID 111540770

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclobutylpyrrolidin-1-yl)-2-(1-hydroxycyclohexyl)ethanone?
The IUPAC name of 1-(2-cyclobutylpyrrolidin-1-yl)-2-(1-hydroxycyclohexyl)ethanone (CID 111537997) is 1-(2-cyclobutylpyrrolidin-1-yl)-2-(1-hydroxycyclohexyl)ethanone.
What is the SMILES notation for 1-(2-cyclobutylpyrrolidin-1-yl)-2-(1-hydroxycyclohexyl)ethanone?
The canonical SMILES for 1-(2-cyclobutylpyrrolidin-1-yl)-2-(1-hydroxycyclohexyl)ethanone is O=C(CC1(O)CCCCC1)N1CCCC1C1CCC1.
What is the InChIKey of 1-(2-cyclobutylpyrrolidin-1-yl)-2-(1-hydroxycyclohexyl)ethanone?
The InChIKey is SQVNLYNGAAJRFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2/c18-15(12-16(19)9-2-1-3-10-16)17-11-5-8-14(17)13-6-4-7-13/h13-14,19H,1-12H2.
What are the key properties of 1-(2-cyclobutylpyrrolidin-1-yl)-2-(1-hydroxycyclohexyl)ethanone?
1-(2-cyclobutylpyrrolidin-1-yl)-2-(1-hydroxycyclohexyl)ethanone has a molecular weight of 265.40 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclobutylpyrrolidin-1-yl)-2-(1-hydroxycyclohexyl)ethanone is sourced from PubChem (CID 111537997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).