1-methylpyrrolidine-3-carbonitrile

C6H10N2 — CID 10866285

IUPAC1-methylpyrrolidine-3-carbonitrile
SMILESCN1CCC(C#N)C1
InChIInChI=1S/C6H10N2/c1-8-3-2-6(4-7)5-8/h6H,2-3,5H2,1H3
InChIKeyQXYSYYCPALRMRV-UHFFFAOYSA-N
MW110.16 g/mol
LogP0.46
Rot. Bonds

About 1-methylpyrrolidine-3-carbonitrile

1-methylpyrrolidine-3-carbonitrile (PubChem CID 10866285) has the molecular formula C6H10N2 and a molecular weight of 110.16 g/mol. Its IUPAC name is 1-methylpyrrolidine-3-carbonitrile.

Molecular Properties

Compound Name1-methylpyrrolidine-3-carbonitrile
PubChem CID10866285
Molecular FormulaC6H10N2
Molecular Weight110.16 g/mol
Exact Mass110.08
IUPAC Name1-methylpyrrolidine-3-carbonitrile
SMILESCN1CCC(C#N)C1
InChIInChI=1S/C6H10N2/c1-8-3-2-6(4-7)5-8/h6H,2-3,5H2,1H3
InChIKeyQXYSYYCPALRMRV-UHFFFAOYSA-N
XLogP0.46
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.16
LogP ≤ 50.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methylpyrrolidine-3-carbonitrile?
The IUPAC name of 1-methylpyrrolidine-3-carbonitrile (CID 10866285) is 1-methylpyrrolidine-3-carbonitrile.
What is the SMILES notation for 1-methylpyrrolidine-3-carbonitrile?
The canonical SMILES for 1-methylpyrrolidine-3-carbonitrile is CN1CCC(C#N)C1.
What is the InChIKey of 1-methylpyrrolidine-3-carbonitrile?
The InChIKey is QXYSYYCPALRMRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2/c1-8-3-2-6(4-7)5-8/h6H,2-3,5H2,1H3.
What are the key properties of 1-methylpyrrolidine-3-carbonitrile?
1-methylpyrrolidine-3-carbonitrile has a molecular weight of 110.16 g/mol, XLogP of 0.46, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylpyrrolidine-3-carbonitrile is sourced from PubChem (CID 10866285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).