2-(1-methylpyrrolidin-2-yl)propanenitrile

C8H14N2 — CID 18313708

IUPAC2-(1-methylpyrrolidin-2-yl)propanenitrile
SMILESCC(C#N)C1CCCN1C
InChIInChI=1S/C8H14N2/c1-7(6-9)8-4-3-5-10(8)2/h7-8H,3-5H2,1-2H3
InChIKeyZFIAFVFBVWFTGM-UHFFFAOYSA-N
MW138.21 g/mol
LogP1.24
Rot. Bonds1

About 2-(1-methylpyrrolidin-2-yl)propanenitrile

2-(1-methylpyrrolidin-2-yl)propanenitrile (PubChem CID 18313708) has the molecular formula C8H14N2 and a molecular weight of 138.21 g/mol. Its IUPAC name is 2-(1-methylpyrrolidin-2-yl)propanenitrile.

Molecular Properties

Compound Name2-(1-methylpyrrolidin-2-yl)propanenitrile
PubChem CID18313708
Molecular FormulaC8H14N2
Molecular Weight138.21 g/mol
Exact Mass138.12
IUPAC Name2-(1-methylpyrrolidin-2-yl)propanenitrile
SMILESCC(C#N)C1CCCN1C
InChIInChI=1S/C8H14N2/c1-7(6-9)8-4-3-5-10(8)2/h7-8H,3-5H2,1-2H3
InChIKeyZFIAFVFBVWFTGM-UHFFFAOYSA-N
XLogP1.24
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-Fluoro-2-propan-2-ylpyrrolidine-1-carbonitrile
CID 166040370
(4S)-4-fluoro-2-propan-2-ylpyrrolidine-1-carbonitrile
CID 166040513
1-Tert-butyl-4-fluoro-4-methylpyrrolidine-2-carbonitrile
CID 169915123
1-Methyl-4-(trifluoromethyl)pyrrolidine-2-carbonitrile
CID 177906512
3-(1-Methylpyrrolidin-2-yl)propanenitrile
CID 13320618
Ucpllnrykawaqn-uhfffaoysa-
CID 13464691
2-Pyrrolidin-1-ylhexanenitrile
CID 25156082
1-(Cyclohexylmethyl)pyrrolidine-2-carbonitrile
CID 64414919
3,3,3-Trifluoro-2-[(2-propan-2-ylpyrrolidin-1-yl)methyl]propanenitrile
CID 103367947
2-[(2,4-Dimethylpyrrolidin-1-yl)methyl]-3,3,3-trifluoropropanenitrile
CID 103368028
2-Cyclopropyl-2-pyrrolidin-1-ylacetonitrile
CID 61310749
2-[(2S)-1-methylpyrrolidin-2-yl]acetonitrile
CID 12648938

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpyrrolidin-2-yl)propanenitrile?
The IUPAC name of 2-(1-methylpyrrolidin-2-yl)propanenitrile (CID 18313708) is 2-(1-methylpyrrolidin-2-yl)propanenitrile.
What is the SMILES notation for 2-(1-methylpyrrolidin-2-yl)propanenitrile?
The canonical SMILES for 2-(1-methylpyrrolidin-2-yl)propanenitrile is CC(C#N)C1CCCN1C.
What is the InChIKey of 2-(1-methylpyrrolidin-2-yl)propanenitrile?
The InChIKey is ZFIAFVFBVWFTGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2/c1-7(6-9)8-4-3-5-10(8)2/h7-8H,3-5H2,1-2H3.
What are the key properties of 2-(1-methylpyrrolidin-2-yl)propanenitrile?
2-(1-methylpyrrolidin-2-yl)propanenitrile has a molecular weight of 138.21 g/mol, XLogP of 1.24, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpyrrolidin-2-yl)propanenitrile is sourced from PubChem (CID 18313708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).