3-[2-(5-phenyl-3,4-dihydro-2H-pyrrol-2-yl)propan-2-yl]cyclohexan-1-one

C19H25NO — CID 134962125

IUPAC3-[2-(5-phenyl-3,4-dihydro-2H-pyrrol-2-yl)propan-2-yl]cyclohexan-1-one
SMILESCC(C)(C1CCCC(=O)C1)C1CCC(c2ccccc2)=N1
InChIInChI=1S/C19H25NO/c1-19(2,15-9-6-10-16(21)13-15)18-12-11-17(20-18)14-7-4-3-5-8-14/h3-5,7-8,15,18H,6,9-13H2,1-2H3
InChIKeyKFWRLDPXFKCKHL-UHFFFAOYSA-N
MW283.41 g/mol
LogP4.42
Rot. Bonds3

About 3-[2-(5-phenyl-3,4-dihydro-2H-pyrrol-2-yl)propan-2-yl]cyclohexan-1-one

3-[2-(5-phenyl-3,4-dihydro-2H-pyrrol-2-yl)propan-2-yl]cyclohexan-1-one (PubChem CID 134962125) has the molecular formula C19H25NO and a molecular weight of 283.41 g/mol. Its IUPAC name is 3-[2-(5-phenyl-3,4-dihydro-2H-pyrrol-2-yl)propan-2-yl]cyclohexan-1-one.

Molecular Properties

Compound Name3-[2-(5-phenyl-3,4-dihydro-2H-pyrrol-2-yl)propan-2-yl]cyclohexan-1-one
PubChem CID134962125
Molecular FormulaC19H25NO
Molecular Weight283.41 g/mol
Exact Mass283.19
IUPAC Name3-[2-(5-phenyl-3,4-dihydro-2H-pyrrol-2-yl)propan-2-yl]cyclohexan-1-one
SMILESCC(C)(C1CCCC(=O)C1)C1CCC(c2ccccc2)=N1
InChIInChI=1S/C19H25NO/c1-19(2,15-9-6-10-16(21)13-15)18-12-11-17(20-18)14-7-4-3-5-8-14/h3-5,7-8,15,18H,6,9-13H2,1-2H3
InChIKeyKFWRLDPXFKCKHL-UHFFFAOYSA-N
XLogP4.42
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.41
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(5-phenyl-3,4-dihydro-2H-pyrrol-2-yl)propan-2-yl]cyclohexan-1-one?
The IUPAC name of 3-[2-(5-phenyl-3,4-dihydro-2H-pyrrol-2-yl)propan-2-yl]cyclohexan-1-one (CID 134962125) is 3-[2-(5-phenyl-3,4-dihydro-2H-pyrrol-2-yl)propan-2-yl]cyclohexan-1-one.
What is the SMILES notation for 3-[2-(5-phenyl-3,4-dihydro-2H-pyrrol-2-yl)propan-2-yl]cyclohexan-1-one?
The canonical SMILES for 3-[2-(5-phenyl-3,4-dihydro-2H-pyrrol-2-yl)propan-2-yl]cyclohexan-1-one is CC(C)(C1CCCC(=O)C1)C1CCC(c2ccccc2)=N1.
What is the InChIKey of 3-[2-(5-phenyl-3,4-dihydro-2H-pyrrol-2-yl)propan-2-yl]cyclohexan-1-one?
The InChIKey is KFWRLDPXFKCKHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO/c1-19(2,15-9-6-10-16(21)13-15)18-12-11-17(20-18)14-7-4-3-5-8-14/h3-5,7-8,15,18H,6,9-13H2,1-2H3.
What are the key properties of 3-[2-(5-phenyl-3,4-dihydro-2H-pyrrol-2-yl)propan-2-yl]cyclohexan-1-one?
3-[2-(5-phenyl-3,4-dihydro-2H-pyrrol-2-yl)propan-2-yl]cyclohexan-1-one has a molecular weight of 283.41 g/mol, XLogP of 4.42, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(5-phenyl-3,4-dihydro-2H-pyrrol-2-yl)propan-2-yl]cyclohexan-1-one is sourced from PubChem (CID 134962125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).