1-(3-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)cyclopentane-1-carbonitrile

C13H18N2O — CID 175807724

IUPAC1-(3-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)cyclopentane-1-carbonitrile
SMILESCC1C=CCN(C(=O)C2(C#N)CCCC2)C1
InChIInChI=1S/C13H18N2O/c1-11-5-4-8-15(9-11)12(16)13(10-14)6-2-3-7-13/h4-5,11H,2-3,6-9H2,1H3
InChIKeyFOSSVIMIXMRHDR-UHFFFAOYSA-N
MW218.30 g/mol
LogP2.10
Rot. Bonds1

About 1-(3-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)cyclopentane-1-carbonitrile

1-(3-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)cyclopentane-1-carbonitrile (PubChem CID 175807724) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is 1-(3-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name1-(3-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)cyclopentane-1-carbonitrile
PubChem CID175807724
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name1-(3-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)cyclopentane-1-carbonitrile
SMILESCC1C=CCN(C(=O)C2(C#N)CCCC2)C1
InChIInChI=1S/C13H18N2O/c1-11-5-4-8-15(9-11)12(16)13(10-14)6-2-3-7-13/h4-5,11H,2-3,6-9H2,1H3
InChIKeyFOSSVIMIXMRHDR-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-(3-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)cyclopentane-1-carbonitrile?
The IUPAC name of 1-(3-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)cyclopentane-1-carbonitrile (CID 175807724) is 1-(3-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)cyclopentane-1-carbonitrile.
What is the SMILES notation for 1-(3-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)cyclopentane-1-carbonitrile?
The canonical SMILES for 1-(3-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)cyclopentane-1-carbonitrile is CC1C=CCN(C(=O)C2(C#N)CCCC2)C1.
What is the InChIKey of 1-(3-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)cyclopentane-1-carbonitrile?
The InChIKey is FOSSVIMIXMRHDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-11-5-4-8-15(9-11)12(16)13(10-14)6-2-3-7-13/h4-5,11H,2-3,6-9H2,1H3.
What are the key properties of 1-(3-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)cyclopentane-1-carbonitrile?
1-(3-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)cyclopentane-1-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-(3-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)cyclopentane-1-carbonitrile is sourced from PubChem (CID 175807724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).