1-[3-(2-methylpropyl)azetidin-1-yl]propan-1-one

C10H19NO — CID 126603690

IUPAC1-[3-(2-methylpropyl)azetidin-1-yl]propan-1-one
SMILESCCC(=O)N1CC(CC(C)C)C1
InChIInChI=1S/C10H19NO/c1-4-10(12)11-6-9(7-11)5-8(2)3/h8-9H,4-7H2,1-3H3
InChIKeyDXFIHHHEAGVTCS-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.90
Rot. Bonds3

About 1-[3-(2-methylpropyl)azetidin-1-yl]propan-1-one

1-[3-(2-methylpropyl)azetidin-1-yl]propan-1-one (PubChem CID 126603690) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 1-[3-(2-methylpropyl)azetidin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-[3-(2-methylpropyl)azetidin-1-yl]propan-1-one
PubChem CID126603690
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name1-[3-(2-methylpropyl)azetidin-1-yl]propan-1-one
SMILESCCC(=O)N1CC(CC(C)C)C1
InChIInChI=1S/C10H19NO/c1-4-10(12)11-6-9(7-11)5-8(2)3/h8-9H,4-7H2,1-3H3
InChIKeyDXFIHHHEAGVTCS-UHFFFAOYSA-N
XLogP1.90
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[3-(2-methylpropyl)azetidin-1-yl]ethanone
CID 130318512
1-[3-(2-methylpropyl)azetidin-1-yl]prop-2-en-1-one
CID 130318558
1-[4-(3-methylbutyl)piperidin-1-yl]propan-1-one
CID 166753074
1-[2-(4-methylpentyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]propan-1-one
CID 155750738
1-[3-(2-hydroxybutyl)-5-(3-methylbutylamino)piperidin-1-yl]propan-1-one
CID 83995783
1-(3-bromo-4-methylpyrrolidin-1-yl)propan-1-one
CID 131185931
1-(3-ethylpyrrolidin-1-yl)propan-1-one
CID 90392056
1-[3-amino-5-(1-hydroxypropyl)piperidin-1-yl]propan-1-one
CID 83989163
1-[(5S)-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]propan-1-one
CID 167481102
1-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]propan-1-one
CID 63241729
(1-aminocyclopropyl)-[3-(2-methylpropyl)pyrrolidin-1-yl]methanone
CID 119781887
1-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)propan-1-one
CID 134571880

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-methylpropyl)azetidin-1-yl]propan-1-one?
The IUPAC name of 1-[3-(2-methylpropyl)azetidin-1-yl]propan-1-one (CID 126603690) is 1-[3-(2-methylpropyl)azetidin-1-yl]propan-1-one.
What is the SMILES notation for 1-[3-(2-methylpropyl)azetidin-1-yl]propan-1-one?
The canonical SMILES for 1-[3-(2-methylpropyl)azetidin-1-yl]propan-1-one is CCC(=O)N1CC(CC(C)C)C1.
What is the InChIKey of 1-[3-(2-methylpropyl)azetidin-1-yl]propan-1-one?
The InChIKey is DXFIHHHEAGVTCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-4-10(12)11-6-9(7-11)5-8(2)3/h8-9H,4-7H2,1-3H3.
What are the key properties of 1-[3-(2-methylpropyl)azetidin-1-yl]propan-1-one?
1-[3-(2-methylpropyl)azetidin-1-yl]propan-1-one has a molecular weight of 169.27 g/mol, XLogP of 1.90, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-methylpropyl)azetidin-1-yl]propan-1-one is sourced from PubChem (CID 126603690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).