3-[(1-methyl-2-oxopyrrolidin-3-yl)amino]pentanenitrile

C10H17N3O — CID 106257121

IUPAC3-[(1-methyl-2-oxopyrrolidin-3-yl)amino]pentanenitrile
SMILESCCC(CC#N)NC1CCN(C)C1=O
InChIInChI=1S/C10H17N3O/c1-3-8(4-6-11)12-9-5-7-13(2)10(9)14/h8-9,12H,3-5,7H2,1-2H3
InChIKeyKDLADRKLENFZCN-UHFFFAOYSA-N
MW195.27 g/mol
LogP0.50
Rot. Bonds4

About 3-[(1-methyl-2-oxopyrrolidin-3-yl)amino]pentanenitrile

3-[(1-methyl-2-oxopyrrolidin-3-yl)amino]pentanenitrile (PubChem CID 106257121) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is 3-[(1-methyl-2-oxopyrrolidin-3-yl)amino]pentanenitrile.

Molecular Properties

Compound Name3-[(1-methyl-2-oxopyrrolidin-3-yl)amino]pentanenitrile
PubChem CID106257121
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name3-[(1-methyl-2-oxopyrrolidin-3-yl)amino]pentanenitrile
SMILESCCC(CC#N)NC1CCN(C)C1=O
InChIInChI=1S/C10H17N3O/c1-3-8(4-6-11)12-9-5-7-13(2)10(9)14/h8-9,12H,3-5,7H2,1-2H3
InChIKeyKDLADRKLENFZCN-UHFFFAOYSA-N
XLogP0.50
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(1-methylpiperidin-4-yl)amino]pentanenitrile
CID 43373491
2-methyl-3-[(1-methyl-2-oxopyrrolidin-3-yl)amino]propanenitrile
CID 106256838
1-methyl-3-[1-(4-methylphenyl)propylamino]pyrrolidin-2-one
CID 103902441
1-cyano-N-(1-methyl-2-oxopyrrolidin-3-yl)ethanesulfonamide
CID 106256229
3-[1-(1-ethylpiperidin-4-yl)ethylamino]-1-methylpyrrolidin-2-one
CID 106252496
(3S)-1-methyl-3-(methylamino)pyrrolidin-2-one
CID 94236128
3-(hexan-3-ylamino)-1-propan-2-ylpyrrolidin-2-one
CID 115672858
2-[(1-methyl-2-oxopyrrolidin-3-yl)amino]hexanoic acid
CID 106257611
3-[[(1S)-1-cyclohexylethyl]amino]-1-methylpyrrolidin-2-one
CID 81384940
3-[1-(3,4-dimethoxyphenyl)propylamino]-1-methylpyrrolidin-2-one
CID 103902437
1-methyl-2-oxo-3-(sulfamoylamino)pyrrolidine
CID 103682335
3-(thian-4-ylamino)pentanenitrile
CID 62646226

Frequently Asked Questions

What is the IUPAC name of 3-[(1-methyl-2-oxopyrrolidin-3-yl)amino]pentanenitrile?
The IUPAC name of 3-[(1-methyl-2-oxopyrrolidin-3-yl)amino]pentanenitrile (CID 106257121) is 3-[(1-methyl-2-oxopyrrolidin-3-yl)amino]pentanenitrile.
What is the SMILES notation for 3-[(1-methyl-2-oxopyrrolidin-3-yl)amino]pentanenitrile?
The canonical SMILES for 3-[(1-methyl-2-oxopyrrolidin-3-yl)amino]pentanenitrile is CCC(CC#N)NC1CCN(C)C1=O.
What is the InChIKey of 3-[(1-methyl-2-oxopyrrolidin-3-yl)amino]pentanenitrile?
The InChIKey is KDLADRKLENFZCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-3-8(4-6-11)12-9-5-7-13(2)10(9)14/h8-9,12H,3-5,7H2,1-2H3.
What are the key properties of 3-[(1-methyl-2-oxopyrrolidin-3-yl)amino]pentanenitrile?
3-[(1-methyl-2-oxopyrrolidin-3-yl)amino]pentanenitrile has a molecular weight of 195.27 g/mol, XLogP of 0.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-methyl-2-oxopyrrolidin-3-yl)amino]pentanenitrile is sourced from PubChem (CID 106257121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).