3-aminocyclobutane-1-carbonitrile;hydrochloride

C5H9ClN2 — CID 91663849

IUPAC3-aminocyclobutane-1-carbonitrile;hydrochloride
SMILESCl.N#CC1CC(N)C1
InChIInChI=1S/C5H8N2.ClH/c6-3-4-1-5(7)2-4;/h4-5H,1-2,7H2;1H
InChIKeyLZZBWDSIAXVWHX-UHFFFAOYSA-N
MW132.59 g/mol
LogP0.67
Rot. Bonds

About 3-aminocyclobutane-1-carbonitrile;hydrochloride

3-aminocyclobutane-1-carbonitrile;hydrochloride (PubChem CID 91663849) has the molecular formula C5H9ClN2 and a molecular weight of 132.59 g/mol. Its IUPAC name is 3-aminocyclobutane-1-carbonitrile;hydrochloride.

Molecular Properties

Compound Name3-aminocyclobutane-1-carbonitrile;hydrochloride
PubChem CID91663849
Molecular FormulaC5H9ClN2
Molecular Weight132.59 g/mol
Exact Mass132.05
IUPAC Name3-aminocyclobutane-1-carbonitrile;hydrochloride
SMILESCl.N#CC1CC(N)C1
InChIInChI=1S/C5H8N2.ClH/c6-3-4-1-5(7)2-4;/h4-5H,1-2,7H2;1H
InChIKeyLZZBWDSIAXVWHX-UHFFFAOYSA-N
XLogP0.67
TPSA49.81 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.59
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-aminocyclobutane-1-carbonitrile;hydrochloride?
The IUPAC name of 3-aminocyclobutane-1-carbonitrile;hydrochloride (CID 91663849) is 3-aminocyclobutane-1-carbonitrile;hydrochloride.
What is the SMILES notation for 3-aminocyclobutane-1-carbonitrile;hydrochloride?
The canonical SMILES for 3-aminocyclobutane-1-carbonitrile;hydrochloride is Cl.N#CC1CC(N)C1.
What is the InChIKey of 3-aminocyclobutane-1-carbonitrile;hydrochloride?
The InChIKey is LZZBWDSIAXVWHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2.ClH/c6-3-4-1-5(7)2-4;/h4-5H,1-2,7H2;1H.
What are the key properties of 3-aminocyclobutane-1-carbonitrile;hydrochloride?
3-aminocyclobutane-1-carbonitrile;hydrochloride has a molecular weight of 132.59 g/mol, XLogP of 0.67, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-aminocyclobutane-1-carbonitrile;hydrochloride is sourced from PubChem (CID 91663849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).