N-(azetidin-3-ylmethyl)cyclopropanecarboxamide;hydrochloride

C8H15ClN2O — CID 129319980

IUPACN-(azetidin-3-ylmethyl)cyclopropanecarboxamide;hydrochloride
SMILESCl.O=C(NCC1CNC1)C1CC1
InChIInChI=1S/C8H14N2O.ClH/c11-8(7-1-2-7)10-5-6-3-9-4-6;/h6-7,9H,1-5H2,(H,10,11);1H
InChIKeyOHEUMZRGUQAEFD-UHFFFAOYSA-N
MW190.67 g/mol
LogP0.15
Rot. Bonds3

About N-(azetidin-3-ylmethyl)cyclopropanecarboxamide;hydrochloride

N-(azetidin-3-ylmethyl)cyclopropanecarboxamide;hydrochloride (PubChem CID 129319980) has the molecular formula C8H15ClN2O and a molecular weight of 190.67 g/mol. Its IUPAC name is N-(azetidin-3-ylmethyl)cyclopropanecarboxamide;hydrochloride.

Molecular Properties

Compound NameN-(azetidin-3-ylmethyl)cyclopropanecarboxamide;hydrochloride
PubChem CID129319980
Molecular FormulaC8H15ClN2O
Molecular Weight190.67 g/mol
Exact Mass190.09
IUPAC NameN-(azetidin-3-ylmethyl)cyclopropanecarboxamide;hydrochloride
SMILESCl.O=C(NCC1CNC1)C1CC1
InChIInChI=1S/C8H14N2O.ClH/c11-8(7-1-2-7)10-5-6-3-9-4-6;/h6-7,9H,1-5H2,(H,10,11);1H
InChIKeyOHEUMZRGUQAEFD-UHFFFAOYSA-N
XLogP0.15
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.67
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(azetidin-3-ylmethyl)cyclopropanecarboxamide;hydrochloride?
The IUPAC name of N-(azetidin-3-ylmethyl)cyclopropanecarboxamide;hydrochloride (CID 129319980) is N-(azetidin-3-ylmethyl)cyclopropanecarboxamide;hydrochloride.
What is the SMILES notation for N-(azetidin-3-ylmethyl)cyclopropanecarboxamide;hydrochloride?
The canonical SMILES for N-(azetidin-3-ylmethyl)cyclopropanecarboxamide;hydrochloride is Cl.O=C(NCC1CNC1)C1CC1.
What is the InChIKey of N-(azetidin-3-ylmethyl)cyclopropanecarboxamide;hydrochloride?
The InChIKey is OHEUMZRGUQAEFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O.ClH/c11-8(7-1-2-7)10-5-6-3-9-4-6;/h6-7,9H,1-5H2,(H,10,11);1H.
What are the key properties of N-(azetidin-3-ylmethyl)cyclopropanecarboxamide;hydrochloride?
N-(azetidin-3-ylmethyl)cyclopropanecarboxamide;hydrochloride has a molecular weight of 190.67 g/mol, XLogP of 0.15, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(azetidin-3-ylmethyl)cyclopropanecarboxamide;hydrochloride is sourced from PubChem (CID 129319980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).