1-cyclohex-2-en-1-ylpyrrolidine-2-carbonitrile

C11H16N2 — CID 114620002

IUPAC1-cyclohex-2-en-1-ylpyrrolidine-2-carbonitrile
SMILESN#CC1CCCN1C1C=CCCC1
InChIInChI=1S/C11H16N2/c12-9-11-7-4-8-13(11)10-5-2-1-3-6-10/h2,5,10-11H,1,3-4,6-8H2
InChIKeyONPKLNMUPAWLNJ-UHFFFAOYSA-N
MW176.26 g/mol
LogP2.08
Rot. Bonds1

About 1-cyclohex-2-en-1-ylpyrrolidine-2-carbonitrile

1-cyclohex-2-en-1-ylpyrrolidine-2-carbonitrile (PubChem CID 114620002) has the molecular formula C11H16N2 and a molecular weight of 176.26 g/mol. Its IUPAC name is 1-cyclohex-2-en-1-ylpyrrolidine-2-carbonitrile.

Molecular Properties

Compound Name1-cyclohex-2-en-1-ylpyrrolidine-2-carbonitrile
PubChem CID114620002
Molecular FormulaC11H16N2
Molecular Weight176.26 g/mol
Exact Mass176.13
IUPAC Name1-cyclohex-2-en-1-ylpyrrolidine-2-carbonitrile
SMILESN#CC1CCCN1C1C=CCCC1
InChIInChI=1S/C11H16N2/c12-9-11-7-4-8-13(11)10-5-2-1-3-6-10/h2,5,10-11H,1,3-4,6-8H2
InChIKeyONPKLNMUPAWLNJ-UHFFFAOYSA-N
XLogP2.08
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-cyclohex-2-en-1-yl-2-methylpyrrolidine
CID 126995474
1-cyclohex-2-en-1-yl-2-methylpiperidin-3-amine
CID 130835288
methyl (2S)-1-[(1S)-cyclohex-2-en-1-yl]pyrrolidine-2-carboxylate
CID 95628939
3-[(2S)-1-[(1R)-cyclohex-2-en-1-yl]piperidin-2-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
CID 124606532
N-[(1-cyclohex-2-en-1-ylpiperidin-2-yl)methyl]cyclopropanamine
CID 114620815
4-ethyl-2,3,4,6,7,9a-hexahydro-1H-quinolizine
CID 170221751
(5R,8R)-8-methyl-1,2,3,5,6,7,8,8a-octahydroindolizine-5-carbonitrile
CID 101050444
1-cyclohex-2-en-1-yl-2-methylpyrrolidine-3-carboxylic acid
CID 114620467
1-cyclohex-2-en-1-yl-3-methylpyrrolidine-2-carboxylic acid
CID 102786013
1-cyclohex-2-en-1-ylpiperidine-4-carboxamide
CID 171914153
1-(1-cyclohex-2-en-1-ylpiperidin-4-yl)ethanone
CID 114620010
2-(1-cyclohex-2-en-1-ylpiperidin-4-yl)ethanamine
CID 114620570

Frequently Asked Questions

What is the IUPAC name of 1-cyclohex-2-en-1-ylpyrrolidine-2-carbonitrile?
The IUPAC name of 1-cyclohex-2-en-1-ylpyrrolidine-2-carbonitrile (CID 114620002) is 1-cyclohex-2-en-1-ylpyrrolidine-2-carbonitrile.
What is the SMILES notation for 1-cyclohex-2-en-1-ylpyrrolidine-2-carbonitrile?
The canonical SMILES for 1-cyclohex-2-en-1-ylpyrrolidine-2-carbonitrile is N#CC1CCCN1C1C=CCCC1.
What is the InChIKey of 1-cyclohex-2-en-1-ylpyrrolidine-2-carbonitrile?
The InChIKey is ONPKLNMUPAWLNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2/c12-9-11-7-4-8-13(11)10-5-2-1-3-6-10/h2,5,10-11H,1,3-4,6-8H2.
What are the key properties of 1-cyclohex-2-en-1-ylpyrrolidine-2-carbonitrile?
1-cyclohex-2-en-1-ylpyrrolidine-2-carbonitrile has a molecular weight of 176.26 g/mol, XLogP of 2.08, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohex-2-en-1-ylpyrrolidine-2-carbonitrile is sourced from PubChem (CID 114620002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).