(3-aminoazetidin-1-yl)-cyclopropylmethanone

C7H12N2O — CID 63753455

IUPAC(3-aminoazetidin-1-yl)-cyclopropylmethanone
SMILESNC1CN(C(=O)C2CC2)C1
InChIInChI=1S/C7H12N2O/c8-6-3-9(4-6)7(10)5-1-2-5/h5-6H,1-4,8H2
InChIKeyQEYQLSDFQMDPRE-UHFFFAOYSA-N
MW140.19 g/mol
LogP-0.43
Rot. Bonds1

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

(3-aminoazetidin-1-yl)-cyclopropylmethanone (PubChem CID 63753455) has the molecular formula C7H12N2O and a molecular weight of 140.19 g/mol. Its IUPAC name is (3-aminoazetidin-1-yl)-cyclopropylmethanone.

Molecular Properties

Compound Name(3-aminoazetidin-1-yl)-cyclopropylmethanone
PubChem CID63753455
Molecular FormulaC7H12N2O
Molecular Weight140.19 g/mol
Exact Mass140.09
IUPAC Name(3-aminoazetidin-1-yl)-cyclopropylmethanone
SMILESNC1CN(C(=O)C2CC2)C1
InChIInChI=1S/C7H12N2O/c8-6-3-9(4-6)7(10)5-1-2-5/h5-6H,1-4,8H2
InChIKeyQEYQLSDFQMDPRE-UHFFFAOYSA-N
XLogP-0.43
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.19
LogP ≤ 5-0.43
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?
The IUPAC name of (3-aminoazetidin-1-yl)-cyclopropylmethanone (CID 63753455) is (3-aminoazetidin-1-yl)-cyclopropylmethanone.
What is the SMILES notation for (3-aminoazetidin-1-yl)-cyclopropylmethanone?
The canonical SMILES for (3-aminoazetidin-1-yl)-cyclopropylmethanone is NC1CN(C(=O)C2CC2)C1.
What is the InChIKey of (3-aminoazetidin-1-yl)-cyclopropylmethanone?
The InChIKey is QEYQLSDFQMDPRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O/c8-6-3-9(4-6)7(10)5-1-2-5/h5-6H,1-4,8H2.
What are the key properties of (3-aminoazetidin-1-yl)-cyclopropylmethanone?
(3-aminoazetidin-1-yl)-cyclopropylmethanone has a molecular weight of 140.19 g/mol, XLogP of -0.43, 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 is sourced from PubChem (CID 63753455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).