1-(azetidin-1-yl)-2-ethylpentan-1-one

C10H19NO — CID 146417085

IUPAC1-(azetidin-1-yl)-2-ethylpentan-1-one
SMILESCCCC(CC)C(=O)N1CCC1
InChIInChI=1S/C10H19NO/c1-3-6-9(4-2)10(12)11-7-5-8-11/h9H,3-8H2,1-2H3
InChIKeyDBAQOZJTNQSYHT-UHFFFAOYSA-N
MW169.27 g/mol
LogP2.05
Rot. Bonds4

About 1-(azetidin-1-yl)-2-ethylpentan-1-one

1-(azetidin-1-yl)-2-ethylpentan-1-one (PubChem CID 146417085) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 1-(azetidin-1-yl)-2-ethylpentan-1-one.

Molecular Properties

Compound Name1-(azetidin-1-yl)-2-ethylpentan-1-one
PubChem CID146417085
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name1-(azetidin-1-yl)-2-ethylpentan-1-one
SMILESCCCC(CC)C(=O)N1CCC1
InChIInChI=1S/C10H19NO/c1-3-6-9(4-2)10(12)11-7-5-8-11/h9H,3-8H2,1-2H3
InChIKeyDBAQOZJTNQSYHT-UHFFFAOYSA-N
XLogP2.05
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-acetylpiperazin-1-yl)-2-ethylhexan-1-one
CID 145133773
1-[4-(2-bromoethyl)-1,4-diazepan-1-yl]-2-ethylhexan-1-one
CID 80665419
2-ethyl-1-(4-prop-2-enyl-1,4-diazepan-1-yl)hexan-1-one
CID 110280914
1-[4-(4-aminobutyl)-1,4-diazepan-1-yl]-2-propylpentan-1-one
CID 82984279
2-ethyl-1-(4-hydroxypiperidin-1-yl)hexan-1-one
CID 43417122
2-amino-1-[4-(2-methylpropanoyl)-1,4-diazepan-1-yl]pentan-1-one;hydrochloride
CID 119297853
2-(aminomethyl)-1-(4,4-dimethylazepan-1-yl)pentan-1-one
CID 65281608
2-(aminomethyl)-1-(4-methylazepan-1-yl)pentan-1-one
CID 63622647
2-[4-[2-(aminomethyl)pentanoyl]-1,4-diazepan-1-yl]-N,N-dimethylacetamide
CID 65227502
2-ethyl-1-[3-(hydroxymethyl)piperidin-1-yl]hexan-1-one
CID 43422444
2-ethyl-1-[4-(3,4,5-trihydroxybenzoyl)-1,4-diazepan-1-yl]butan-1-one
CID 108545734
[1-(2-ethylpentanoyl)pyrrolidin-2-yl]boronic acid
CID 143049678

Frequently Asked Questions

What is the IUPAC name of 1-(azetidin-1-yl)-2-ethylpentan-1-one?
The IUPAC name of 1-(azetidin-1-yl)-2-ethylpentan-1-one (CID 146417085) is 1-(azetidin-1-yl)-2-ethylpentan-1-one.
What is the SMILES notation for 1-(azetidin-1-yl)-2-ethylpentan-1-one?
The canonical SMILES for 1-(azetidin-1-yl)-2-ethylpentan-1-one is CCCC(CC)C(=O)N1CCC1.
What is the InChIKey of 1-(azetidin-1-yl)-2-ethylpentan-1-one?
The InChIKey is DBAQOZJTNQSYHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-3-6-9(4-2)10(12)11-7-5-8-11/h9H,3-8H2,1-2H3.
What are the key properties of 1-(azetidin-1-yl)-2-ethylpentan-1-one?
1-(azetidin-1-yl)-2-ethylpentan-1-one has a molecular weight of 169.27 g/mol, XLogP of 2.05, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azetidin-1-yl)-2-ethylpentan-1-one is sourced from PubChem (CID 146417085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).