2-(3-pyrrolidin-1-ylcyclohex-2-en-1-ylidene)propanedinitrile

C13H15N3 — CID 100966250

IUPAC2-(3-pyrrolidin-1-ylcyclohex-2-en-1-ylidene)propanedinitrile
SMILESN#CC(C#N)=C1C=C(N2CCCC2)CCC1
InChIInChI=1S/C13H15N3/c14-9-12(10-15)11-4-3-5-13(8-11)16-6-1-2-7-16/h8H,1-7H2
InChIKeyFPXRWXMBKINTGY-UHFFFAOYSA-N
MW213.28 g/mol
LogP2.49
Rot. Bonds1

About 2-(3-pyrrolidin-1-ylcyclohex-2-en-1-ylidene)propanedinitrile

2-(3-pyrrolidin-1-ylcyclohex-2-en-1-ylidene)propanedinitrile (PubChem CID 100966250) has the molecular formula C13H15N3 and a molecular weight of 213.28 g/mol. Its IUPAC name is 2-(3-pyrrolidin-1-ylcyclohex-2-en-1-ylidene)propanedinitrile.

Molecular Properties

Compound Name2-(3-pyrrolidin-1-ylcyclohex-2-en-1-ylidene)propanedinitrile
PubChem CID100966250
Molecular FormulaC13H15N3
Molecular Weight213.28 g/mol
Exact Mass213.13
IUPAC Name2-(3-pyrrolidin-1-ylcyclohex-2-en-1-ylidene)propanedinitrile
SMILESN#CC(C#N)=C1C=C(N2CCCC2)CCC1
InChIInChI=1S/C13H15N3/c14-9-12(10-15)11-4-3-5-13(8-11)16-6-1-2-7-16/h8H,1-7H2
InChIKeyFPXRWXMBKINTGY-UHFFFAOYSA-N
XLogP2.49
TPSA50.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2,6-Dimethyl-1-pentylpyridin-4-ylidene)propanedinitrile
CID 2307977
ST040432
CID 730448
[5,5-Dimethyl-3-(pyrrolidin-1-yl)cyclohex-2-en-1-ylidene]propanedinitrile
CID 21516726
1-(3-Methylidenecyclohexen-1-yl)pyrrolidine
CID 134850246
4-Pyrrolidin-1-ylcyclohexa-1,3-diene-1-carbonitrile
CID 134863393
[2-(1-Methylpyrrolidin-2-ylidene)1-methylethylidene]malodinitrile
CID 5362944
2-[(2Z)-2-(1-ethylpyrrolidin-2-ylidene)ethylidene]propanedinitrile
CID 20734620
1,2,3,5-Tetrahydroindolizine-8-carbonitrile
CID 21255212
2,5-Dimethyl-1-(3-methylcyclohexa-1,3-dien-1-yl)pyrrolidine
CID 22733832
4-(1-Ethylpyrrolidin-2-ylidene)-2-methylbut-2-enenitrile
CID 59360290
2-[2-(1-Ethylpyrrolidin-2-ylidene)ethylidene]propanedinitrile
CID 60091314
1,2,3,5-Tetrahydroindolizine-7-carbonitrile
CID 67552848

Frequently Asked Questions

What is the IUPAC name of 2-(3-pyrrolidin-1-ylcyclohex-2-en-1-ylidene)propanedinitrile?
The IUPAC name of 2-(3-pyrrolidin-1-ylcyclohex-2-en-1-ylidene)propanedinitrile (CID 100966250) is 2-(3-pyrrolidin-1-ylcyclohex-2-en-1-ylidene)propanedinitrile.
What is the SMILES notation for 2-(3-pyrrolidin-1-ylcyclohex-2-en-1-ylidene)propanedinitrile?
The canonical SMILES for 2-(3-pyrrolidin-1-ylcyclohex-2-en-1-ylidene)propanedinitrile is N#CC(C#N)=C1C=C(N2CCCC2)CCC1.
What is the InChIKey of 2-(3-pyrrolidin-1-ylcyclohex-2-en-1-ylidene)propanedinitrile?
The InChIKey is FPXRWXMBKINTGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3/c14-9-12(10-15)11-4-3-5-13(8-11)16-6-1-2-7-16/h8H,1-7H2.
What are the key properties of 2-(3-pyrrolidin-1-ylcyclohex-2-en-1-ylidene)propanedinitrile?
2-(3-pyrrolidin-1-ylcyclohex-2-en-1-ylidene)propanedinitrile has a molecular weight of 213.28 g/mol, XLogP of 2.49, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-pyrrolidin-1-ylcyclohex-2-en-1-ylidene)propanedinitrile is sourced from PubChem (CID 100966250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).