1-[2-(4-chlorophenyl)-6,6-dimethyl-1-phenyl-5,7-dihydropyrrolizin-3-yl]propan-1-one

C24H24ClNO — CID 51353666

IUPAC1-[2-(4-chlorophenyl)-6,6-dimethyl-1-phenyl-5,7-dihydropyrrolizin-3-yl]propan-1-one
SMILESCCC(=O)c1c(-c2ccc(Cl)cc2)c(-c2ccccc2)c2n1CC(C)(C)C2
InChIInChI=1S/C24H24ClNO/c1-4-20(27)23-22(17-10-12-18(25)13-11-17)21(16-8-6-5-7-9-16)19-14-24(2,3)15-26(19)23/h5-13H,4,14-15H2,1-3H3
InChIKeyJTWHEIZMQCHTHQ-UHFFFAOYSA-N
MW377.92 g/mol
LogP6.65
Rot. Bonds4

About 1-[2-(4-chlorophenyl)-6,6-dimethyl-1-phenyl-5,7-dihydropyrrolizin-3-yl]propan-1-one

1-[2-(4-chlorophenyl)-6,6-dimethyl-1-phenyl-5,7-dihydropyrrolizin-3-yl]propan-1-one (PubChem CID 51353666) has the molecular formula C24H24ClNO and a molecular weight of 377.92 g/mol. Its IUPAC name is 1-[2-(4-chlorophenyl)-6,6-dimethyl-1-phenyl-5,7-dihydropyrrolizin-3-yl]propan-1-one.

Molecular Properties

Compound Name1-[2-(4-chlorophenyl)-6,6-dimethyl-1-phenyl-5,7-dihydropyrrolizin-3-yl]propan-1-one
PubChem CID51353666
Molecular FormulaC24H24ClNO
Molecular Weight377.92 g/mol
Exact Mass377.15
IUPAC Name1-[2-(4-chlorophenyl)-6,6-dimethyl-1-phenyl-5,7-dihydropyrrolizin-3-yl]propan-1-one
SMILESCCC(=O)c1c(-c2ccc(Cl)cc2)c(-c2ccccc2)c2n1CC(C)(C)C2
InChIInChI=1S/C24H24ClNO/c1-4-20(27)23-22(17-10-12-18(25)13-11-17)21(16-8-6-5-7-9-16)19-14-24(2,3)15-26(19)23/h5-13H,4,14-15H2,1-3H3
InChIKeyJTWHEIZMQCHTHQ-UHFFFAOYSA-N
XLogP6.65
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.92
LogP ≤ 56.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Rwj-37868
CID 9799646
[2-[2-(4-Chlorophenyl)-6,6-dimethyl-1-phenyl-5,7-dihydropyrrolizin-3-yl]-2-oxoethyl] formate
CID 51351539
1-[2-(4-Chlorophenyl)-6,6-dimethyl-1-phenyl-5,7-dihydropyrrolizin-3-yl]ethanone
CID 51351540
[2-[2-(4-Chlorophenyl)-6,6-dimethyl-1-phenyl-5,7-dihydropyrrolizin-3-yl]-2-oxoethyl] acetate
CID 51351541
[2-[2-(4-Chlorophenyl)-6,6-dimethyl-1-phenyl-5,7-dihydropyrrolizin-3-yl]-2-oxoethyl] propanoate
CID 51351542
1-[2-(4-Chlorophenyl)-6,6-dimethyl-1-phenyl-5,7-dihydropyrrolizin-3-yl]hexan-1-one
CID 51353977
2-Chloro-1-[2-(4-chlorophenyl)-6,6-dimethyl-1-phenyl-5,7-dihydropyrrolizin-3-yl]ethanone
CID 51353978
[2-[2-(4-Chlorophenyl)-6,6-dimethyl-1-phenyl-5,7-dihydropyrrolizin-3-yl]-2-oxoethyl] 2-phenylacetate
CID 51354556
[2-[2-(4-Chlorophenyl)-6,6-dimethyl-1-phenyl-5,7-dihydropyrrolizin-3-yl]-2-oxoethyl] 2-(4-chlorophenyl)acetate
CID 51354833
6-(4-chlorophenyl)-2,2,5-trimethyl-7-phenyl-3H-pyrrolizin-1-one
CID 9798474
2-[2-(4-chlorophenyl)-6,6-dimethyl-7-oxo-1-phenyl-5H-pyrrolizin-3-yl]acetic acid
CID 9908605
1-[5-(4-Chlorobenzoyl)-1,2,4-trimethylpyrrol-3-yl]-2-(diethylamino)ethanone
CID 10618556

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-chlorophenyl)-6,6-dimethyl-1-phenyl-5,7-dihydropyrrolizin-3-yl]propan-1-one?
The IUPAC name of 1-[2-(4-chlorophenyl)-6,6-dimethyl-1-phenyl-5,7-dihydropyrrolizin-3-yl]propan-1-one (CID 51353666) is 1-[2-(4-chlorophenyl)-6,6-dimethyl-1-phenyl-5,7-dihydropyrrolizin-3-yl]propan-1-one.
What is the SMILES notation for 1-[2-(4-chlorophenyl)-6,6-dimethyl-1-phenyl-5,7-dihydropyrrolizin-3-yl]propan-1-one?
The canonical SMILES for 1-[2-(4-chlorophenyl)-6,6-dimethyl-1-phenyl-5,7-dihydropyrrolizin-3-yl]propan-1-one is CCC(=O)c1c(-c2ccc(Cl)cc2)c(-c2ccccc2)c2n1CC(C)(C)C2.
What is the InChIKey of 1-[2-(4-chlorophenyl)-6,6-dimethyl-1-phenyl-5,7-dihydropyrrolizin-3-yl]propan-1-one?
The InChIKey is JTWHEIZMQCHTHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClNO/c1-4-20(27)23-22(17-10-12-18(25)13-11-17)21(16-8-6-5-7-9-16)19-14-24(2,3)15-26(19)23/h5-13H,4,14-15H2,1-3H3.
What are the key properties of 1-[2-(4-chlorophenyl)-6,6-dimethyl-1-phenyl-5,7-dihydropyrrolizin-3-yl]propan-1-one?
1-[2-(4-chlorophenyl)-6,6-dimethyl-1-phenyl-5,7-dihydropyrrolizin-3-yl]propan-1-one has a molecular weight of 377.92 g/mol, XLogP of 6.65, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-chlorophenyl)-6,6-dimethyl-1-phenyl-5,7-dihydropyrrolizin-3-yl]propan-1-one is sourced from PubChem (CID 51353666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).