3-(azetidin-3-yl)-1-cyclopropylpropan-1-one

C9H15NO — CID 58222834

IUPAC3-(azetidin-3-yl)-1-cyclopropylpropan-1-one
SMILESO=C(CCC1CNC1)C1CC1
InChIInChI=1S/C9H15NO/c11-9(8-2-3-8)4-1-7-5-10-6-7/h7-8,10H,1-6H2
InChIKeyDJARFDQXXLWUPT-UHFFFAOYSA-N
MW153.22 g/mol
LogP0.97
Rot. Bonds4

About 3-(azetidin-3-yl)-1-cyclopropylpropan-1-one

3-(azetidin-3-yl)-1-cyclopropylpropan-1-one (PubChem CID 58222834) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is 3-(azetidin-3-yl)-1-cyclopropylpropan-1-one.

Molecular Properties

Compound Name3-(azetidin-3-yl)-1-cyclopropylpropan-1-one
PubChem CID58222834
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name3-(azetidin-3-yl)-1-cyclopropylpropan-1-one
SMILESO=C(CCC1CNC1)C1CC1
InChIInChI=1S/C9H15NO/c11-9(8-2-3-8)4-1-7-5-10-6-7/h7-8,10H,1-6H2
InChIKeyDJARFDQXXLWUPT-UHFFFAOYSA-N
XLogP0.97
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-cycloheptyl-1-cyclopropylpropan-1-one
CID 82923813
3-(azetidin-3-yl)-N-hydroxypropanamide
CID 163274851
2-(azetidin-3-yl)-1-cyclobutylethanone
CID 116582434
1-cyclopropyl-3-hydroxypropan-1-one
CID 115011064
1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-3-cyclopropylpropan-1-one
CID 114978305
3-cyclohexyl-1-(4,4-dimethylcyclohexyl)propan-1-one
CID 114191901
1-(4-butanoylcyclohexyl)butan-1-one
CID 21294983
3-pyrrolidin-3-ylpropanoic acid
CID 12825648
1-(4-propylcyclohexyl)pent-4-yn-1-one
CID 65424447
2-(azetidin-3-yl)-1-(oxolan-3-yl)ethanone
CID 116582222
1-(1,9-dioxaspiro[5.5]undecan-4-yl)-3-pyrrolidin-3-ylpropan-1-one
CID 116605977
3-[(3R)-pyrrolidin-3-yl]propanamide
CID 174976551

Frequently Asked Questions

What is the IUPAC name of 3-(azetidin-3-yl)-1-cyclopropylpropan-1-one?
The IUPAC name of 3-(azetidin-3-yl)-1-cyclopropylpropan-1-one (CID 58222834) is 3-(azetidin-3-yl)-1-cyclopropylpropan-1-one.
What is the SMILES notation for 3-(azetidin-3-yl)-1-cyclopropylpropan-1-one?
The canonical SMILES for 3-(azetidin-3-yl)-1-cyclopropylpropan-1-one is O=C(CCC1CNC1)C1CC1.
What is the InChIKey of 3-(azetidin-3-yl)-1-cyclopropylpropan-1-one?
The InChIKey is DJARFDQXXLWUPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO/c11-9(8-2-3-8)4-1-7-5-10-6-7/h7-8,10H,1-6H2.
What are the key properties of 3-(azetidin-3-yl)-1-cyclopropylpropan-1-one?
3-(azetidin-3-yl)-1-cyclopropylpropan-1-one has a molecular weight of 153.22 g/mol, XLogP of 0.97, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(azetidin-3-yl)-1-cyclopropylpropan-1-one is sourced from PubChem (CID 58222834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).