3-cyclohexyl-1-(2-methyl-3-pentyl-4-phenylpyrrolidin-1-yl)propan-1-one

C25H39NO — CID 143491282

IUPAC3-cyclohexyl-1-(2-methyl-3-pentyl-4-phenylpyrrolidin-1-yl)propan-1-one
SMILESCCCCCC1C(c2ccccc2)CN(C(=O)CCC2CCCCC2)C1C
InChIInChI=1S/C25H39NO/c1-3-4-7-16-23-20(2)26(19-24(23)22-14-10-6-11-15-22)25(27)18-17-21-12-8-5-9-13-21/h6,10-11,14-15,20-21,23-24H,3-5,7-9,12-13,16-19H2,1-2H3
InChIKeyUXGGFJPGZVWVHC-UHFFFAOYSA-N
MW369.59 g/mol
LogP6.56
Rot. Bonds8

About 3-cyclohexyl-1-(2-methyl-3-pentyl-4-phenylpyrrolidin-1-yl)propan-1-one

3-cyclohexyl-1-(2-methyl-3-pentyl-4-phenylpyrrolidin-1-yl)propan-1-one (PubChem CID 143491282) has the molecular formula C25H39NO and a molecular weight of 369.59 g/mol. Its IUPAC name is 3-cyclohexyl-1-(2-methyl-3-pentyl-4-phenylpyrrolidin-1-yl)propan-1-one.

Molecular Properties

Compound Name3-cyclohexyl-1-(2-methyl-3-pentyl-4-phenylpyrrolidin-1-yl)propan-1-one
PubChem CID143491282
Molecular FormulaC25H39NO
Molecular Weight369.59 g/mol
Exact Mass369.30
IUPAC Name3-cyclohexyl-1-(2-methyl-3-pentyl-4-phenylpyrrolidin-1-yl)propan-1-one
SMILESCCCCCC1C(c2ccccc2)CN(C(=O)CCC2CCCCC2)C1C
InChIInChI=1S/C25H39NO/c1-3-4-7-16-23-20(2)26(19-24(23)22-14-10-6-11-15-22)25(27)18-17-21-12-8-5-9-13-21/h6,10-11,14-15,20-21,23-24H,3-5,7-9,12-13,16-19H2,1-2H3
InChIKeyUXGGFJPGZVWVHC-UHFFFAOYSA-N
XLogP6.56
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.59
LogP ≤ 56.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-1-(2-methyl-3-pentyl-4-phenylpyrrolidin-1-yl)propan-1-one?
The IUPAC name of 3-cyclohexyl-1-(2-methyl-3-pentyl-4-phenylpyrrolidin-1-yl)propan-1-one (CID 143491282) is 3-cyclohexyl-1-(2-methyl-3-pentyl-4-phenylpyrrolidin-1-yl)propan-1-one.
What is the SMILES notation for 3-cyclohexyl-1-(2-methyl-3-pentyl-4-phenylpyrrolidin-1-yl)propan-1-one?
The canonical SMILES for 3-cyclohexyl-1-(2-methyl-3-pentyl-4-phenylpyrrolidin-1-yl)propan-1-one is CCCCCC1C(c2ccccc2)CN(C(=O)CCC2CCCCC2)C1C.
What is the InChIKey of 3-cyclohexyl-1-(2-methyl-3-pentyl-4-phenylpyrrolidin-1-yl)propan-1-one?
The InChIKey is UXGGFJPGZVWVHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H39NO/c1-3-4-7-16-23-20(2)26(19-24(23)22-14-10-6-11-15-22)25(27)18-17-21-12-8-5-9-13-21/h6,10-11,14-15,20-21,23-24H,3-5,7-9,12-13,16-19H2,1-2H3.
What are the key properties of 3-cyclohexyl-1-(2-methyl-3-pentyl-4-phenylpyrrolidin-1-yl)propan-1-one?
3-cyclohexyl-1-(2-methyl-3-pentyl-4-phenylpyrrolidin-1-yl)propan-1-one has a molecular weight of 369.59 g/mol, XLogP of 6.56, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-1-(2-methyl-3-pentyl-4-phenylpyrrolidin-1-yl)propan-1-one is sourced from PubChem (CID 143491282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).