1-cyanocyclopropane-1-carboxamide;hydrochloride

C5H7ClN2O — CID 22329368

IUPAC1-cyanocyclopropane-1-carboxamide;hydrochloride
SMILESCl.N#CC1(C(N)=O)CC1
InChIInChI=1S/C5H6N2O.ClH/c6-3-5(1-2-5)4(7)8;/h1-2H2,(H2,7,8);1H
InChIKeyUZHAAMLYAKNKPJ-UHFFFAOYSA-N
MW146.58 g/mol
LogP0.20
Rot. Bonds1

About 1-cyanocyclopropane-1-carboxamide;hydrochloride

1-cyanocyclopropane-1-carboxamide;hydrochloride (PubChem CID 22329368) has the molecular formula C5H7ClN2O and a molecular weight of 146.58 g/mol. Its IUPAC name is 1-cyanocyclopropane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-cyanocyclopropane-1-carboxamide;hydrochloride
PubChem CID22329368
Molecular FormulaC5H7ClN2O
Molecular Weight146.58 g/mol
Exact Mass146.02
IUPAC Name1-cyanocyclopropane-1-carboxamide;hydrochloride
SMILESCl.N#CC1(C(N)=O)CC1
InChIInChI=1S/C5H6N2O.ClH/c6-3-5(1-2-5)4(7)8;/h1-2H2,(H2,7,8);1H
InChIKeyUZHAAMLYAKNKPJ-UHFFFAOYSA-N
XLogP0.20
TPSA66.88 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.58
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyanocyclopropane-1-carboxamide;hydrochloride?
The IUPAC name of 1-cyanocyclopropane-1-carboxamide;hydrochloride (CID 22329368) is 1-cyanocyclopropane-1-carboxamide;hydrochloride.
What is the SMILES notation for 1-cyanocyclopropane-1-carboxamide;hydrochloride?
The canonical SMILES for 1-cyanocyclopropane-1-carboxamide;hydrochloride is Cl.N#CC1(C(N)=O)CC1.
What is the InChIKey of 1-cyanocyclopropane-1-carboxamide;hydrochloride?
The InChIKey is UZHAAMLYAKNKPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2O.ClH/c6-3-5(1-2-5)4(7)8;/h1-2H2,(H2,7,8);1H.
What are the key properties of 1-cyanocyclopropane-1-carboxamide;hydrochloride?
1-cyanocyclopropane-1-carboxamide;hydrochloride has a molecular weight of 146.58 g/mol, XLogP of 0.20, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyanocyclopropane-1-carboxamide;hydrochloride is sourced from PubChem (CID 22329368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).