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3-(4-phenylcyclohexyl)-1-pyrrolidin-1-ylpropan-1-one

C19H27NO — CID 155568969

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC3-(4-phenylcyclohexyl)-1-pyrrolidin-1-ylpropan-1-one
SMILESO=C(CCC1CCC(c2ccccc2)CC1)N1CCCC1
InChIInChI=1S/C19H27NO/c21-19(20-14-4-5-15-20)13-10-16-8-11-18(12-9-16)17-6-2-1-3-7-17/h1-3,6-7,16,18H,4-5,8-15H2
InChIKeyBRBQUWLNVGOOHO-UHFFFAOYSA-N
MW285.43 g/mol
LogP4.36
Rot. Bonds4

About 3-(4-phenylcyclohexyl)-1-pyrrolidin-1-ylpropan-1-one

3-(4-phenylcyclohexyl)-1-pyrrolidin-1-ylpropan-1-one (PubChem CID 155568969) has the molecular formula C19H27NO and a molecular weight of 285.43 g/mol. Its IUPAC name is 3-(4-phenylcyclohexyl)-1-pyrrolidin-1-ylpropan-1-one.

Molecular Properties

Compound Name3-(4-phenylcyclohexyl)-1-pyrrolidin-1-ylpropan-1-one
PubChem CID155568969
Molecular FormulaC19H27NO
Molecular Weight285.43 g/mol
Exact Mass285.21
IUPAC Name3-(4-phenylcyclohexyl)-1-pyrrolidin-1-ylpropan-1-one
SMILESO=C(CCC1CCC(c2ccccc2)CC1)N1CCCC1
InChIInChI=1S/C19H27NO/c21-19(20-14-4-5-15-20)13-10-16-8-11-18(12-9-16)17-6-2-1-3-7-17/h1-3,6-7,16,18H,4-5,8-15H2
InChIKeyBRBQUWLNVGOOHO-UHFFFAOYSA-N
XLogP4.36
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.43
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(4-phenylcyclohexyl)-1-pyrrolidin-1-ylpropan-1-one?
The IUPAC name of 3-(4-phenylcyclohexyl)-1-pyrrolidin-1-ylpropan-1-one (CID 155568969) is 3-(4-phenylcyclohexyl)-1-pyrrolidin-1-ylpropan-1-one.
What is the SMILES notation for 3-(4-phenylcyclohexyl)-1-pyrrolidin-1-ylpropan-1-one?
The canonical SMILES for 3-(4-phenylcyclohexyl)-1-pyrrolidin-1-ylpropan-1-one is O=C(CCC1CCC(c2ccccc2)CC1)N1CCCC1.
What is the InChIKey of 3-(4-phenylcyclohexyl)-1-pyrrolidin-1-ylpropan-1-one?
The InChIKey is BRBQUWLNVGOOHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO/c21-19(20-14-4-5-15-20)13-10-16-8-11-18(12-9-16)17-6-2-1-3-7-17/h1-3,6-7,16,18H,4-5,8-15H2.
What are the key properties of 3-(4-phenylcyclohexyl)-1-pyrrolidin-1-ylpropan-1-one?
3-(4-phenylcyclohexyl)-1-pyrrolidin-1-ylpropan-1-one has a molecular weight of 285.43 g/mol, XLogP of 4.36, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-phenylcyclohexyl)-1-pyrrolidin-1-ylpropan-1-one is sourced from PubChem (CID 155568969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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