2-[(4R)-4-methyl-2-oxo-4-propylpyrrolidin-1-yl]butanenitrile

C12H20N2O — CID 146505969

IUPAC2-[(4R)-4-methyl-2-oxo-4-propylpyrrolidin-1-yl]butanenitrile
SMILESCCC[C@]1(C)CC(=O)N(C(C#N)CC)C1
InChIInChI=1S/C12H20N2O/c1-4-6-12(3)7-11(15)14(9-12)10(5-2)8-13/h10H,4-7,9H2,1-3H3/t10?,12-/m1/s1
InChIKeyVHTBGUDUSZMCGT-TVKKRMFBSA-N
MW208.30 g/mol
LogP2.33
Rot. Bonds4

About 2-[(4R)-4-methyl-2-oxo-4-propylpyrrolidin-1-yl]butanenitrile

2-[(4R)-4-methyl-2-oxo-4-propylpyrrolidin-1-yl]butanenitrile (PubChem CID 146505969) has the molecular formula C12H20N2O and a molecular weight of 208.30 g/mol. Its IUPAC name is 2-[(4R)-4-methyl-2-oxo-4-propylpyrrolidin-1-yl]butanenitrile.

Molecular Properties

Compound Name2-[(4R)-4-methyl-2-oxo-4-propylpyrrolidin-1-yl]butanenitrile
PubChem CID146505969
Molecular FormulaC12H20N2O
Molecular Weight208.30 g/mol
Exact Mass208.16
IUPAC Name2-[(4R)-4-methyl-2-oxo-4-propylpyrrolidin-1-yl]butanenitrile
SMILESCCC[C@]1(C)CC(=O)N(C(C#N)CC)C1
InChIInChI=1S/C12H20N2O/c1-4-6-12(3)7-11(15)14(9-12)10(5-2)8-13/h10H,4-7,9H2,1-3H3/t10?,12-/m1/s1
InChIKeyVHTBGUDUSZMCGT-TVKKRMFBSA-N
XLogP2.33
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-methyl-2,5-dioxopyrrolidin-1-yl)butanenitrile
CID 61123330
4-(aminomethyl)-4-methyl-1-propan-2-ylpyrrolidin-2-one
CID 84653847
2-(6,6-dimethyl-2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)butanenitrile
CID 64834778
2-(1,3-dioxo-2-azaspiro[4.6]undecan-2-yl)butanenitrile
CID 61122730
2-(2-ethyl-5-oxopyrrolidin-1-yl)butanenitrile
CID 68841358
2-(3,3-diethyl-2,5-dioxopyrrolidin-1-yl)pentanenitrile
CID 54904839
2-(3-hydroxy-3-methylpyrrolidin-1-yl)butanenitrile
CID 105352576
4-methyl-1-[(2R)-1-phenylpropan-2-yl]-4-propylpiperidine-2,6-dione
CID 125485057
2-(2-azaspiro[3.4]octan-2-yl)butanenitrile
CID 130643612
1-(1-cyanopropyl)-3-methylpyrrolidine-3-carboxylic acid
CID 63147887
(3S)-3-methyl-3-propylcyclopentan-1-one
CID 171036794
3-(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)-2-(propylamino)propanenitrile
CID 65301387

Frequently Asked Questions

What is the IUPAC name of 2-[(4R)-4-methyl-2-oxo-4-propylpyrrolidin-1-yl]butanenitrile?
The IUPAC name of 2-[(4R)-4-methyl-2-oxo-4-propylpyrrolidin-1-yl]butanenitrile (CID 146505969) is 2-[(4R)-4-methyl-2-oxo-4-propylpyrrolidin-1-yl]butanenitrile.
What is the SMILES notation for 2-[(4R)-4-methyl-2-oxo-4-propylpyrrolidin-1-yl]butanenitrile?
The canonical SMILES for 2-[(4R)-4-methyl-2-oxo-4-propylpyrrolidin-1-yl]butanenitrile is CCC[C@]1(C)CC(=O)N(C(C#N)CC)C1.
What is the InChIKey of 2-[(4R)-4-methyl-2-oxo-4-propylpyrrolidin-1-yl]butanenitrile?
The InChIKey is VHTBGUDUSZMCGT-TVKKRMFBSA-N. The full InChI is InChI=1S/C12H20N2O/c1-4-6-12(3)7-11(15)14(9-12)10(5-2)8-13/h10H,4-7,9H2,1-3H3/t10?,12-/m1/s1.
What are the key properties of 2-[(4R)-4-methyl-2-oxo-4-propylpyrrolidin-1-yl]butanenitrile?
2-[(4R)-4-methyl-2-oxo-4-propylpyrrolidin-1-yl]butanenitrile has a molecular weight of 208.30 g/mol, XLogP of 2.33, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4R)-4-methyl-2-oxo-4-propylpyrrolidin-1-yl]butanenitrile is sourced from PubChem (CID 146505969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).