1-(1-methylcyclopent-3-ene-1-carbonyl)piperidine-3-carbonitrile

C13H18N2O — CID 134547135

IUPAC1-(1-methylcyclopent-3-ene-1-carbonyl)piperidine-3-carbonitrile
SMILESCC1(C(=O)N2CCCC(C#N)C2)CC=CC1
InChIInChI=1S/C13H18N2O/c1-13(6-2-3-7-13)12(16)15-8-4-5-11(9-14)10-15/h2-3,11H,4-8,10H2,1H3
InChIKeyXUXTZUGNDUCEQN-UHFFFAOYSA-N
MW218.30 g/mol
LogP2.10
Rot. Bonds1

About 1-(1-methylcyclopent-3-ene-1-carbonyl)piperidine-3-carbonitrile

1-(1-methylcyclopent-3-ene-1-carbonyl)piperidine-3-carbonitrile (PubChem CID 134547135) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is 1-(1-methylcyclopent-3-ene-1-carbonyl)piperidine-3-carbonitrile.

Molecular Properties

Compound Name1-(1-methylcyclopent-3-ene-1-carbonyl)piperidine-3-carbonitrile
PubChem CID134547135
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name1-(1-methylcyclopent-3-ene-1-carbonyl)piperidine-3-carbonitrile
SMILESCC1(C(=O)N2CCCC(C#N)C2)CC=CC1
InChIInChI=1S/C13H18N2O/c1-13(6-2-3-7-13)12(16)15-8-4-5-11(9-14)10-15/h2-3,11H,4-8,10H2,1H3
InChIKeyXUXTZUGNDUCEQN-UHFFFAOYSA-N
XLogP2.10
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(1-methylcyclopent-3-ene-1-carbonyl)piperidine-3-carbonitrile?
The IUPAC name of 1-(1-methylcyclopent-3-ene-1-carbonyl)piperidine-3-carbonitrile (CID 134547135) is 1-(1-methylcyclopent-3-ene-1-carbonyl)piperidine-3-carbonitrile.
What is the SMILES notation for 1-(1-methylcyclopent-3-ene-1-carbonyl)piperidine-3-carbonitrile?
The canonical SMILES for 1-(1-methylcyclopent-3-ene-1-carbonyl)piperidine-3-carbonitrile is CC1(C(=O)N2CCCC(C#N)C2)CC=CC1.
What is the InChIKey of 1-(1-methylcyclopent-3-ene-1-carbonyl)piperidine-3-carbonitrile?
The InChIKey is XUXTZUGNDUCEQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-13(6-2-3-7-13)12(16)15-8-4-5-11(9-14)10-15/h2-3,11H,4-8,10H2,1H3.
What are the key properties of 1-(1-methylcyclopent-3-ene-1-carbonyl)piperidine-3-carbonitrile?
1-(1-methylcyclopent-3-ene-1-carbonyl)piperidine-3-carbonitrile has a molecular weight of 218.30 g/mol, XLogP of 2.10, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylcyclopent-3-ene-1-carbonyl)piperidine-3-carbonitrile is sourced from PubChem (CID 134547135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).