4-aminocyclohexene-1-carbonitrile

C7H10N2 — CID 55291384

IUPAC4-aminocyclohexene-1-carbonitrile
SMILESN#CC1=CCC(N)CC1
InChIInChI=1S/C7H10N2/c8-5-6-1-3-7(9)4-2-6/h1,7H,2-4,9H2
InChIKeyRGRPADFATWWPMN-UHFFFAOYSA-N
MW122.17 g/mol
LogP0.95
Rot. Bonds

About 4-aminocyclohexene-1-carbonitrile

4-aminocyclohexene-1-carbonitrile (PubChem CID 55291384) has the molecular formula C7H10N2 and a molecular weight of 122.17 g/mol. Its IUPAC name is 4-aminocyclohexene-1-carbonitrile.

Molecular Properties

Compound Name4-aminocyclohexene-1-carbonitrile
PubChem CID55291384
Molecular FormulaC7H10N2
Molecular Weight122.17 g/mol
Exact Mass122.08
IUPAC Name4-aminocyclohexene-1-carbonitrile
SMILESN#CC1=CCC(N)CC1
InChIInChI=1S/C7H10N2/c8-5-6-1-3-7(9)4-2-6/h1,7H,2-4,9H2
InChIKeyRGRPADFATWWPMN-UHFFFAOYSA-N
XLogP0.95
TPSA49.81 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.17
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-Amino-4-fluorocyclohexene-1-carbonitrile
CID 166153820
2-(Cyclohex-1-enyl)-2-aminoethanenitrile
CID 21939665
2-Amino-3-(cyclohexen-1-yl)propanenitrile
CID 23042608
3-Aminocyclopentene-1-carbonitrile
CID 45116661
3-Aminocycloheptene-1-carbonitrile
CID 67521603
4-(Aminomethyl)cyclohex-3-en-1-amine
CID 68020369
(3R)-3-aminocyclopentene-1-carbonitrile
CID 89924389
(3R)-3-aminocyclopentene-1-carbonitrile;hydrochloride
CID 118105582
3-Aminocyclopentene-1-carbonitrile;hydrochloride
CID 118105584
(5R)-5-aminocyclohexa-1,3-diene-1-carbonitrile
CID 118518487
4-Amino-3-sulfanylidenecyclohexene-1-carbonitrile
CID 123686727
5-Aminocyclohexa-1,3-diene-1-carbonitrile
CID 129054569

Frequently Asked Questions

What is the IUPAC name of 4-aminocyclohexene-1-carbonitrile?
The IUPAC name of 4-aminocyclohexene-1-carbonitrile (CID 55291384) is 4-aminocyclohexene-1-carbonitrile.
What is the SMILES notation for 4-aminocyclohexene-1-carbonitrile?
The canonical SMILES for 4-aminocyclohexene-1-carbonitrile is N#CC1=CCC(N)CC1.
What is the InChIKey of 4-aminocyclohexene-1-carbonitrile?
The InChIKey is RGRPADFATWWPMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2/c8-5-6-1-3-7(9)4-2-6/h1,7H,2-4,9H2.
What are the key properties of 4-aminocyclohexene-1-carbonitrile?
4-aminocyclohexene-1-carbonitrile has a molecular weight of 122.17 g/mol, XLogP of 0.95, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-aminocyclohexene-1-carbonitrile is sourced from PubChem (CID 55291384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).