(3-aminoazetidin-1-yl)-cyclopropylmethanone;hydrochloride

C7H13ClN2O — CID 118990046

IUPAC(3-aminoazetidin-1-yl)-cyclopropylmethanone;hydrochloride
SMILESCl.NC1CN(C(=O)C2CC2)C1
InChIInChI=1S/C7H12N2O.ClH/c8-6-3-9(4-6)7(10)5-1-2-5;/h5-6H,1-4,8H2;1H
InChIKeyYKIBZBFGXFAOGW-UHFFFAOYSA-N
MW176.65 g/mol
LogP-0.01
Rot. Bonds1

About (3-aminoazetidin-1-yl)-cyclopropylmethanone;hydrochloride

(3-aminoazetidin-1-yl)-cyclopropylmethanone;hydrochloride (PubChem CID 118990046) has the molecular formula C7H13ClN2O and a molecular weight of 176.65 g/mol. Its IUPAC name is (3-aminoazetidin-1-yl)-cyclopropylmethanone;hydrochloride.

Molecular Properties

Compound Name(3-aminoazetidin-1-yl)-cyclopropylmethanone;hydrochloride
PubChem CID118990046
Molecular FormulaC7H13ClN2O
Molecular Weight176.65 g/mol
Exact Mass176.07
IUPAC Name(3-aminoazetidin-1-yl)-cyclopropylmethanone;hydrochloride
SMILESCl.NC1CN(C(=O)C2CC2)C1
InChIInChI=1S/C7H12N2O.ClH/c8-6-3-9(4-6)7(10)5-1-2-5;/h5-6H,1-4,8H2;1H
InChIKeyYKIBZBFGXFAOGW-UHFFFAOYSA-N
XLogP-0.01
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.65
LogP ≤ 5-0.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3-aminoazetidin-1-yl)-cyclopropylmethanone;hydrochloride?
The IUPAC name of (3-aminoazetidin-1-yl)-cyclopropylmethanone;hydrochloride (CID 118990046) is (3-aminoazetidin-1-yl)-cyclopropylmethanone;hydrochloride.
What is the SMILES notation for (3-aminoazetidin-1-yl)-cyclopropylmethanone;hydrochloride?
The canonical SMILES for (3-aminoazetidin-1-yl)-cyclopropylmethanone;hydrochloride is Cl.NC1CN(C(=O)C2CC2)C1.
What is the InChIKey of (3-aminoazetidin-1-yl)-cyclopropylmethanone;hydrochloride?
The InChIKey is YKIBZBFGXFAOGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O.ClH/c8-6-3-9(4-6)7(10)5-1-2-5;/h5-6H,1-4,8H2;1H.
What are the key properties of (3-aminoazetidin-1-yl)-cyclopropylmethanone;hydrochloride?
(3-aminoazetidin-1-yl)-cyclopropylmethanone;hydrochloride has a molecular weight of 176.65 g/mol, XLogP of -0.01, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminoazetidin-1-yl)-cyclopropylmethanone;hydrochloride is sourced from PubChem (CID 118990046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).