(4-tert-butylcyclohexyl)-(3-hydroxypyrrolidin-1-yl)methanone

C15H27NO2 — CID 62917790

IUPAC(4-tert-butylcyclohexyl)-(3-hydroxypyrrolidin-1-yl)methanone
SMILESCC(C)(C)C1CCC(C(=O)N2CCC(O)C2)CC1
InChIInChI=1S/C15H27NO2/c1-15(2,3)12-6-4-11(5-7-12)14(18)16-9-8-13(17)10-16/h11-13,17H,4-10H2,1-3H3
InChIKeyXZFPISKXKDUKOU-UHFFFAOYSA-N
MW253.39 g/mol
LogP2.43
Rot. Bonds1

About (4-tert-butylcyclohexyl)-(3-hydroxypyrrolidin-1-yl)methanone

(4-tert-butylcyclohexyl)-(3-hydroxypyrrolidin-1-yl)methanone (PubChem CID 62917790) has the molecular formula C15H27NO2 and a molecular weight of 253.39 g/mol. Its IUPAC name is (4-tert-butylcyclohexyl)-(3-hydroxypyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name(4-tert-butylcyclohexyl)-(3-hydroxypyrrolidin-1-yl)methanone
PubChem CID62917790
Molecular FormulaC15H27NO2
Molecular Weight253.39 g/mol
Exact Mass253.20
IUPAC Name(4-tert-butylcyclohexyl)-(3-hydroxypyrrolidin-1-yl)methanone
SMILESCC(C)(C)C1CCC(C(=O)N2CCC(O)C2)CC1
InChIInChI=1S/C15H27NO2/c1-15(2,3)12-6-4-11(5-7-12)14(18)16-9-8-13(17)10-16/h11-13,17H,4-10H2,1-3H3
InChIKeyXZFPISKXKDUKOU-UHFFFAOYSA-N
XLogP2.43
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-ethylcyclohexyl)-[(3S)-3-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methanone
CID 100650506
8-methyl-2-[(2S)-4,4,4-trifluoro-2-hydroxybutyl]-2-azaspiro[4.5]decane-1,3-dione
CID 129400075
rac-(3S,4S)-4-(dimethylamino)-1-[(trans-4-methylcyclohexyl)carbonyl]pyrrolidin-3-ol
CID 131945577
1-(3-Fluoro-4-hydroxypyrrolidin-1-yl)-2-methylnonan-1-one
CID 135200269
1-[(3R,4R)-3-fluoro-4-hydroxypyrrolidin-1-yl]-2-methylnonan-1-one
CID 135280512
1-[(3S,4S)-3-fluoro-4-hydroxypyrrolidin-1-yl]-2-methylnonan-1-one
CID 135280592
2-butyl-1-[(3S,4S)-3-fluoro-4-hydroxypyrrolidin-1-yl]hexan-1-one
CID 138583480
2-Butyl-1-(3-fluoro-4-hydroxypyrrolidin-1-yl)hexan-1-one
CID 138583484
(2-Butan-2-yl-5-fluorocyclohexyl)-(3-hydroxypyrrolidin-1-yl)methanone
CID 175488891
(5s,8s)-2-(3-Hydroxypropyl)-8-methyl-2-azaspiro[4.5]decan-1-one
CID 72376555
[(3S)-3-hydroxypyrrolidin-1-yl]-[2-(trifluoromethyl)cyclohexyl]methanone
CID 71922607
(3-Hydroxypyrrolidin-1-yl)-[4-(trifluoromethyl)cyclohexyl]methanone
CID 81932660

Frequently Asked Questions

What is the IUPAC name of (4-tert-butylcyclohexyl)-(3-hydroxypyrrolidin-1-yl)methanone?
The IUPAC name of (4-tert-butylcyclohexyl)-(3-hydroxypyrrolidin-1-yl)methanone (CID 62917790) is (4-tert-butylcyclohexyl)-(3-hydroxypyrrolidin-1-yl)methanone.
What is the SMILES notation for (4-tert-butylcyclohexyl)-(3-hydroxypyrrolidin-1-yl)methanone?
The canonical SMILES for (4-tert-butylcyclohexyl)-(3-hydroxypyrrolidin-1-yl)methanone is CC(C)(C)C1CCC(C(=O)N2CCC(O)C2)CC1.
What is the InChIKey of (4-tert-butylcyclohexyl)-(3-hydroxypyrrolidin-1-yl)methanone?
The InChIKey is XZFPISKXKDUKOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO2/c1-15(2,3)12-6-4-11(5-7-12)14(18)16-9-8-13(17)10-16/h11-13,17H,4-10H2,1-3H3.
What are the key properties of (4-tert-butylcyclohexyl)-(3-hydroxypyrrolidin-1-yl)methanone?
(4-tert-butylcyclohexyl)-(3-hydroxypyrrolidin-1-yl)methanone has a molecular weight of 253.39 g/mol, XLogP of 2.43, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-tert-butylcyclohexyl)-(3-hydroxypyrrolidin-1-yl)methanone is sourced from PubChem (CID 62917790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).