(3R)-3-aminocyclopentene-1-carbonitrile;hydrochloride

C6H9ClN2 — CID 118105582

IUPAC(3R)-3-aminocyclopentene-1-carbonitrile;hydrochloride
SMILESCl.N#CC1=C[C@H](N)CC1
InChIInChI=1S/C6H8N2.ClH/c7-4-5-1-2-6(8)3-5;/h3,6H,1-2,8H2;1H/t6-;/m1./s1
InChIKeyZYJNEPAZWAZVHX-FYZOBXCZSA-N
MW144.60 g/mol
LogP0.98
Rot. Bonds

About (3R)-3-aminocyclopentene-1-carbonitrile;hydrochloride

(3R)-3-aminocyclopentene-1-carbonitrile;hydrochloride (PubChem CID 118105582) has the molecular formula C6H9ClN2 and a molecular weight of 144.60 g/mol. Its IUPAC name is (3R)-3-aminocyclopentene-1-carbonitrile;hydrochloride.

Molecular Properties

Compound Name(3R)-3-aminocyclopentene-1-carbonitrile;hydrochloride
PubChem CID118105582
Molecular FormulaC6H9ClN2
Molecular Weight144.60 g/mol
Exact Mass144.05
IUPAC Name(3R)-3-aminocyclopentene-1-carbonitrile;hydrochloride
SMILESCl.N#CC1=C[C@H](N)CC1
InChIInChI=1S/C6H8N2.ClH/c7-4-5-1-2-6(8)3-5;/h3,6H,1-2,8H2;1H/t6-;/m1./s1
InChIKeyZYJNEPAZWAZVHX-FYZOBXCZSA-N
XLogP0.98
TPSA49.81 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.60
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-aminocyclopentene-1-carbonitrile;hydrochloride
CID 118105584
3-aminocyclohexene-1-carbonitrile
CID 129054691
cyclohept-3-ene-1,2,4-tricarbonitrile
CID 87163350
3-cycloheptylcyclopent-2-en-1-amine
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3-[4-(4-fluorophenyl)phenyl]cyclopent-2-en-1-amine
CID 82298493
3-(2,4-difluorophenyl)cyclopent-2-en-1-amine
CID 65174225
(1S)-1-amino-1-deuterio-2,3-dihydroindene-4-carbonitrile;hydrochloride
CID 158658327
3-[4-(2-fluorophenyl)phenyl]cyclopent-2-en-1-amine
CID 82298492
tert-butyl N-[(1R)-3-cyanocyclopent-2-en-1-yl]carbamate
CID 118685831
3-aminocyclohex-2-ene-1-carbonitrile
CID 123367305
3-cyclohexylcyclohex-2-en-1-amine
CID 65171950
9-oxo-5,6,7,8-tetrahydrobenzo[7]annulene-6-carbonitrile
CID 101048783

Frequently Asked Questions

What is the IUPAC name of (3R)-3-aminocyclopentene-1-carbonitrile;hydrochloride?
The IUPAC name of (3R)-3-aminocyclopentene-1-carbonitrile;hydrochloride (CID 118105582) is (3R)-3-aminocyclopentene-1-carbonitrile;hydrochloride.
What is the SMILES notation for (3R)-3-aminocyclopentene-1-carbonitrile;hydrochloride?
The canonical SMILES for (3R)-3-aminocyclopentene-1-carbonitrile;hydrochloride is Cl.N#CC1=C[C@H](N)CC1.
What is the InChIKey of (3R)-3-aminocyclopentene-1-carbonitrile;hydrochloride?
The InChIKey is ZYJNEPAZWAZVHX-FYZOBXCZSA-N. The full InChI is InChI=1S/C6H8N2.ClH/c7-4-5-1-2-6(8)3-5;/h3,6H,1-2,8H2;1H/t6-;/m1./s1.
What are the key properties of (3R)-3-aminocyclopentene-1-carbonitrile;hydrochloride?
(3R)-3-aminocyclopentene-1-carbonitrile;hydrochloride has a molecular weight of 144.60 g/mol, XLogP of 0.98, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-aminocyclopentene-1-carbonitrile;hydrochloride is sourced from PubChem (CID 118105582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).