4-phenyl-4-pyrrolidin-3-ylcyclohexan-1-one

C16H21NO — CID 57475104

IUPAC4-phenyl-4-pyrrolidin-3-ylcyclohexan-1-one
SMILESO=C1CCC(c2ccccc2)(C2CCNC2)CC1
InChIInChI=1S/C16H21NO/c18-15-6-9-16(10-7-15,14-8-11-17-12-14)13-4-2-1-3-5-13/h1-5,14,17H,6-12H2
InChIKeyOLKWLWTYNQAXMF-UHFFFAOYSA-N
MW243.35 g/mol
LogP2.68
Rot. Bonds2

About 4-phenyl-4-pyrrolidin-3-ylcyclohexan-1-one

4-phenyl-4-pyrrolidin-3-ylcyclohexan-1-one (PubChem CID 57475104) has the molecular formula C16H21NO and a molecular weight of 243.35 g/mol. Its IUPAC name is 4-phenyl-4-pyrrolidin-3-ylcyclohexan-1-one.

Molecular Properties

Compound Name4-phenyl-4-pyrrolidin-3-ylcyclohexan-1-one
PubChem CID57475104
Molecular FormulaC16H21NO
Molecular Weight243.35 g/mol
Exact Mass243.16
IUPAC Name4-phenyl-4-pyrrolidin-3-ylcyclohexan-1-one
SMILESO=C1CCC(c2ccccc2)(C2CCNC2)CC1
InChIInChI=1S/C16H21NO/c18-15-6-9-16(10-7-15,14-8-11-17-12-14)13-4-2-1-3-5-13/h1-5,14,17H,6-12H2
InChIKeyOLKWLWTYNQAXMF-UHFFFAOYSA-N
XLogP2.68
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-phenyl-4-pyrrolidin-3-ylcyclohexan-1-one?
The IUPAC name of 4-phenyl-4-pyrrolidin-3-ylcyclohexan-1-one (CID 57475104) is 4-phenyl-4-pyrrolidin-3-ylcyclohexan-1-one.
What is the SMILES notation for 4-phenyl-4-pyrrolidin-3-ylcyclohexan-1-one?
The canonical SMILES for 4-phenyl-4-pyrrolidin-3-ylcyclohexan-1-one is O=C1CCC(c2ccccc2)(C2CCNC2)CC1.
What is the InChIKey of 4-phenyl-4-pyrrolidin-3-ylcyclohexan-1-one?
The InChIKey is OLKWLWTYNQAXMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO/c18-15-6-9-16(10-7-15,14-8-11-17-12-14)13-4-2-1-3-5-13/h1-5,14,17H,6-12H2.
What are the key properties of 4-phenyl-4-pyrrolidin-3-ylcyclohexan-1-one?
4-phenyl-4-pyrrolidin-3-ylcyclohexan-1-one has a molecular weight of 243.35 g/mol, XLogP of 2.68, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-4-pyrrolidin-3-ylcyclohexan-1-one is sourced from PubChem (CID 57475104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).