1-(4-phenylphenyl)-3-[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]prop-2-en-1-one

C24H28N2O — CID 91026256

IUPAC1-(4-phenylphenyl)-3-[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]prop-2-en-1-one
SMILESO=C(C=CN1CCC[C@H]1CN1CCCC1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C24H28N2O/c27-24(22-12-10-21(11-13-22)20-7-2-1-3-8-20)14-18-26-17-6-9-23(26)19-25-15-4-5-16-25/h1-3,7-8,10-14,18,23H,4-6,9,15-17,19H2/t23-/m0/s1
InChIKeyNHBSBVMJOYXGAJ-QHCPKHFHSA-N
MW360.50 g/mol
LogP4.61
Rot. Bonds6

About 1-(4-phenylphenyl)-3-[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]prop-2-en-1-one

1-(4-phenylphenyl)-3-[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]prop-2-en-1-one (PubChem CID 91026256) has the molecular formula C24H28N2O and a molecular weight of 360.50 g/mol. Its IUPAC name is 1-(4-phenylphenyl)-3-[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]prop-2-en-1-one.

Molecular Properties

Compound Name1-(4-phenylphenyl)-3-[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]prop-2-en-1-one
PubChem CID91026256
Molecular FormulaC24H28N2O
Molecular Weight360.50 g/mol
Exact Mass360.22
IUPAC Name1-(4-phenylphenyl)-3-[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]prop-2-en-1-one
SMILESO=C(C=CN1CCC[C@H]1CN1CCCC1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C24H28N2O/c27-24(22-12-10-21(11-13-22)20-7-2-1-3-8-20)14-18-26-17-6-9-23(26)19-25-15-4-5-16-25/h1-3,7-8,10-14,18,23H,4-6,9,15-17,19H2/t23-/m0/s1
InChIKeyNHBSBVMJOYXGAJ-QHCPKHFHSA-N
XLogP4.61
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.50
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 1-(4-phenylphenyl)-3-[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]prop-2-en-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-bromophenyl)-3-[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]prop-2-en-1-one
CID 91458806
(E)-1-(furan-2-yl)-3-[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]prop-2-en-1-one
CID 69361159
3-[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]-1-[3-(trifluoromethoxy)phenyl]prop-2-en-1-one
CID 91421591
1-(4-phenylphenyl)-3-piperidin-1-ylprop-2-en-1-one
CID 1322238
1-(2,4-dimethoxyphenyl)-3-[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]prop-2-en-1-one
CID 91592886
3-morpholin-4-yl-1-(4-phenylphenyl)prop-2-en-1-one
CID 2917217
[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-(4-phenylphenyl)methanone
CID 79027798
[4-(2-phenoxyethoxy)phenyl]-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 11960131
2-(5-phenyltetrazol-2-yl)-1-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]ethanone
CID 134813305
[(3S,4S)-3-(hydroxymethyl)-4-(piperidin-1-ylmethyl)pyrrolidin-1-yl]-(4-phenylphenyl)methanone
CID 133122748
2-(3-methylpiperidin-1-yl)-1-(4-phenylphenyl)ethanone
CID 82051048
[4-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]phenyl]-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 11582434

Frequently Asked Questions

What is the IUPAC name of 1-(4-phenylphenyl)-3-[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]prop-2-en-1-one?
The IUPAC name of 1-(4-phenylphenyl)-3-[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]prop-2-en-1-one (CID 91026256) is 1-(4-phenylphenyl)-3-[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]prop-2-en-1-one.
What is the SMILES notation for 1-(4-phenylphenyl)-3-[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]prop-2-en-1-one?
The canonical SMILES for 1-(4-phenylphenyl)-3-[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]prop-2-en-1-one is O=C(C=CN1CCC[C@H]1CN1CCCC1)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 1-(4-phenylphenyl)-3-[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]prop-2-en-1-one?
The InChIKey is NHBSBVMJOYXGAJ-QHCPKHFHSA-N. The full InChI is InChI=1S/C24H28N2O/c27-24(22-12-10-21(11-13-22)20-7-2-1-3-8-20)14-18-26-17-6-9-23(26)19-25-15-4-5-16-25/h1-3,7-8,10-14,18,23H,4-6,9,15-17,19H2/t23-/m0/s1.
What are the key properties of 1-(4-phenylphenyl)-3-[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]prop-2-en-1-one?
1-(4-phenylphenyl)-3-[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]prop-2-en-1-one has a molecular weight of 360.50 g/mol, XLogP of 4.61, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-phenylphenyl)-3-[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]prop-2-en-1-one is sourced from PubChem (CID 91026256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).