1-(1-methylazetidin-3-yl)propan-2-one

C7H13NO — CID 83904810

IUPAC1-(1-methylazetidin-3-yl)propan-2-one
SMILESCC(=O)CC1CN(C)C1
InChIInChI=1S/C7H13NO/c1-6(9)3-7-4-8(2)5-7/h7H,3-5H2,1-2H3
InChIKeyUDUYCMSESNKWDP-UHFFFAOYSA-N
MW127.19 g/mol
LogP0.53
Rot. Bonds2

About 1-(1-methylazetidin-3-yl)propan-2-one

1-(1-methylazetidin-3-yl)propan-2-one (PubChem CID 83904810) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is 1-(1-methylazetidin-3-yl)propan-2-one.

Molecular Properties

Compound Name1-(1-methylazetidin-3-yl)propan-2-one
PubChem CID83904810
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name1-(1-methylazetidin-3-yl)propan-2-one
SMILESCC(=O)CC1CN(C)C1
InChIInChI=1S/C7H13NO/c1-6(9)3-7-4-8(2)5-7/h7H,3-5H2,1-2H3
InChIKeyUDUYCMSESNKWDP-UHFFFAOYSA-N
XLogP0.53
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 50.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1-methylazetidin-3-yl)propan-2-one?
The IUPAC name of 1-(1-methylazetidin-3-yl)propan-2-one (CID 83904810) is 1-(1-methylazetidin-3-yl)propan-2-one.
What is the SMILES notation for 1-(1-methylazetidin-3-yl)propan-2-one?
The canonical SMILES for 1-(1-methylazetidin-3-yl)propan-2-one is CC(=O)CC1CN(C)C1.
What is the InChIKey of 1-(1-methylazetidin-3-yl)propan-2-one?
The InChIKey is UDUYCMSESNKWDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO/c1-6(9)3-7-4-8(2)5-7/h7H,3-5H2,1-2H3.
What are the key properties of 1-(1-methylazetidin-3-yl)propan-2-one?
1-(1-methylazetidin-3-yl)propan-2-one has a molecular weight of 127.19 g/mol, XLogP of 0.53, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylazetidin-3-yl)propan-2-one is sourced from PubChem (CID 83904810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).