2-methyl-3-[3-(2-oxopyrrolidin-1-yl)phenyl]-2-phenylpropanenitrile

C20H20N2O — CID 139377198

IUPAC2-methyl-3-[3-(2-oxopyrrolidin-1-yl)phenyl]-2-phenylpropanenitrile
SMILESCC(C#N)(Cc1cccc(N2CCCC2=O)c1)c1ccccc1
InChIInChI=1S/C20H20N2O/c1-20(15-21,17-8-3-2-4-9-17)14-16-7-5-10-18(13-16)22-12-6-11-19(22)23/h2-5,7-10,13H,6,11-12,14H2,1H3
InChIKeySZDMDPFYUZRXRD-UHFFFAOYSA-N
MW304.39 g/mol
LogP3.84
Rot. Bonds4

About 2-methyl-3-[3-(2-oxopyrrolidin-1-yl)phenyl]-2-phenylpropanenitrile

2-methyl-3-[3-(2-oxopyrrolidin-1-yl)phenyl]-2-phenylpropanenitrile (PubChem CID 139377198) has the molecular formula C20H20N2O and a molecular weight of 304.39 g/mol. Its IUPAC name is 2-methyl-3-[3-(2-oxopyrrolidin-1-yl)phenyl]-2-phenylpropanenitrile.

Molecular Properties

Compound Name2-methyl-3-[3-(2-oxopyrrolidin-1-yl)phenyl]-2-phenylpropanenitrile
PubChem CID139377198
Molecular FormulaC20H20N2O
Molecular Weight304.39 g/mol
Exact Mass304.16
IUPAC Name2-methyl-3-[3-(2-oxopyrrolidin-1-yl)phenyl]-2-phenylpropanenitrile
SMILESCC(C#N)(Cc1cccc(N2CCCC2=O)c1)c1ccccc1
InChIInChI=1S/C20H20N2O/c1-20(15-21,17-8-3-2-4-9-17)14-16-7-5-10-18(13-16)22-12-6-11-19(22)23/h2-5,7-10,13H,6,11-12,14H2,1H3
InChIKeySZDMDPFYUZRXRD-UHFFFAOYSA-N
XLogP3.84
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-(methoxymethyl)phenyl]pyrrolidin-2-one
CID 58826741
3-(3-fluorophenyl)-2-methyl-2-phenylpropanenitrile
CID 82140436
1-[3-(aminomethyl)phenyl]pyrrolidin-2-one;hydrochloride
CID 68967881
1-[3-(methylaminomethyl)phenyl]piperidin-2-one
CID 63272190
ethane;1-(3-ethylphenyl)piperidin-2-one
CID 171523765
1-[3-(ethylaminomethyl)phenyl]pyrrolidin-2-one
CID 63272633
1-[3-[(chloroamino)methyl]phenyl]pyrrolidin-2-one
CID 88577305
N-(2-methyl-2-phenylpropyl)-3-(2-oxopyrrolidin-1-yl)benzamide
CID 46414391
3,3-dimethyl-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]butanamide
CID 39004153
1-[3-[(propan-2-ylamino)methyl]phenyl]piperidin-2-one
CID 113352085
4-[[[3-(2-oxopyrrolidin-1-yl)phenyl]methylamino]methyl]benzoic acid
CID 122030295
1-[3-[[(6-methyl-2-pyridinyl)amino]methyl]phenyl]pyrrolidin-2-one
CID 133482001

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[3-(2-oxopyrrolidin-1-yl)phenyl]-2-phenylpropanenitrile?
The IUPAC name of 2-methyl-3-[3-(2-oxopyrrolidin-1-yl)phenyl]-2-phenylpropanenitrile (CID 139377198) is 2-methyl-3-[3-(2-oxopyrrolidin-1-yl)phenyl]-2-phenylpropanenitrile.
What is the SMILES notation for 2-methyl-3-[3-(2-oxopyrrolidin-1-yl)phenyl]-2-phenylpropanenitrile?
The canonical SMILES for 2-methyl-3-[3-(2-oxopyrrolidin-1-yl)phenyl]-2-phenylpropanenitrile is CC(C#N)(Cc1cccc(N2CCCC2=O)c1)c1ccccc1.
What is the InChIKey of 2-methyl-3-[3-(2-oxopyrrolidin-1-yl)phenyl]-2-phenylpropanenitrile?
The InChIKey is SZDMDPFYUZRXRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O/c1-20(15-21,17-8-3-2-4-9-17)14-16-7-5-10-18(13-16)22-12-6-11-19(22)23/h2-5,7-10,13H,6,11-12,14H2,1H3.
What are the key properties of 2-methyl-3-[3-(2-oxopyrrolidin-1-yl)phenyl]-2-phenylpropanenitrile?
2-methyl-3-[3-(2-oxopyrrolidin-1-yl)phenyl]-2-phenylpropanenitrile has a molecular weight of 304.39 g/mol, XLogP of 3.84, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[3-(2-oxopyrrolidin-1-yl)phenyl]-2-phenylpropanenitrile is sourced from PubChem (CID 139377198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).