(4-cyclohexylphenyl)-pyrrolidin-1-ylmethanone

C17H23NO — CID 78791688

IUPAC(4-cyclohexylphenyl)-pyrrolidin-1-ylmethanone
SMILESO=C(c1ccc(C2CCCCC2)cc1)N1CCCC1
InChIInChI=1S/C17H23NO/c19-17(18-12-4-5-13-18)16-10-8-15(9-11-16)14-6-2-1-3-7-14/h8-11,14H,1-7,12-13H2
InChIKeyKLLAZLOCLRLEFW-UHFFFAOYSA-N
MW257.38 g/mol
LogP3.97
Rot. Bonds2

About (4-cyclohexylphenyl)-pyrrolidin-1-ylmethanone

(4-cyclohexylphenyl)-pyrrolidin-1-ylmethanone (PubChem CID 78791688) has the molecular formula C17H23NO and a molecular weight of 257.38 g/mol. Its IUPAC name is (4-cyclohexylphenyl)-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name(4-cyclohexylphenyl)-pyrrolidin-1-ylmethanone
PubChem CID78791688
Molecular FormulaC17H23NO
Molecular Weight257.38 g/mol
Exact Mass257.18
IUPAC Name(4-cyclohexylphenyl)-pyrrolidin-1-ylmethanone
SMILESO=C(c1ccc(C2CCCCC2)cc1)N1CCCC1
InChIInChI=1S/C17H23NO/c19-17(18-12-4-5-13-18)16-10-8-15(9-11-16)14-6-2-1-3-7-14/h8-11,14H,1-7,12-13H2
InChIKeyKLLAZLOCLRLEFW-UHFFFAOYSA-N
XLogP3.97
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[4-(4-cyclohexylbenzoyl)piperazin-1-yl]ethanone
CID 110761379
(4-aminopiperidin-1-yl)-(4-cyclohexylphenyl)methanone;hydrochloride
CID 119372876
4-cyclohexyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide
CID 24656637
[4-(azocane-1-carbonyl)phenyl]-(azocan-1-yl)methanone
CID 3317192
(4-cyclohexylphenyl)-(3-methylpyrrolidin-1-yl)methanone
CID 86877330
(4-cyclohexylphenyl)-[3-(methylamino)piperidin-1-yl]methanone
CID 119487583
N-tert-butyl-4-(4-cyclohexylbenzoyl)piperazine-1-carboxamide
CID 110812367
(3R)-1-(4-cyclohexylbenzoyl)-N-(cyclopropylmethyl)piperidine-3-carboxamide
CID 51954362
(4-fluorophenyl)-[3-(4-fluorophenyl)piperidin-1-yl]methanone
CID 70334763
(4-bromophenyl)-[3-(4-fluorophenyl)azepan-1-yl]methanone
CID 72717452
(4-cyclohexylphenyl)-(2-methylaziridin-1-yl)methanone
CID 22282326
1-(4-cyclohexylbenzoyl)-N-(1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide
CID 60523241

Frequently Asked Questions

What is the IUPAC name of (4-cyclohexylphenyl)-pyrrolidin-1-ylmethanone?
The IUPAC name of (4-cyclohexylphenyl)-pyrrolidin-1-ylmethanone (CID 78791688) is (4-cyclohexylphenyl)-pyrrolidin-1-ylmethanone.
What is the SMILES notation for (4-cyclohexylphenyl)-pyrrolidin-1-ylmethanone?
The canonical SMILES for (4-cyclohexylphenyl)-pyrrolidin-1-ylmethanone is O=C(c1ccc(C2CCCCC2)cc1)N1CCCC1.
What is the InChIKey of (4-cyclohexylphenyl)-pyrrolidin-1-ylmethanone?
The InChIKey is KLLAZLOCLRLEFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO/c19-17(18-12-4-5-13-18)16-10-8-15(9-11-16)14-6-2-1-3-7-14/h8-11,14H,1-7,12-13H2.
What are the key properties of (4-cyclohexylphenyl)-pyrrolidin-1-ylmethanone?
(4-cyclohexylphenyl)-pyrrolidin-1-ylmethanone has a molecular weight of 257.38 g/mol, XLogP of 3.97, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyclohexylphenyl)-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 78791688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).