1-(azetidin-1-yl)-4-methylpentan-3-one

C9H17NO — CID 131213332

IUPAC1-(azetidin-1-yl)-4-methylpentan-3-one
SMILESCC(C)C(=O)CCN1CCC1
InChIInChI=1S/C9H17NO/c1-8(2)9(11)4-7-10-5-3-6-10/h8H,3-7H2,1-2H3
InChIKeyXYHWGVTUESQXRQ-UHFFFAOYSA-N
MW155.24 g/mol
LogP1.31
Rot. Bonds4

About 1-(azetidin-1-yl)-4-methylpentan-3-one

1-(azetidin-1-yl)-4-methylpentan-3-one (PubChem CID 131213332) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is 1-(azetidin-1-yl)-4-methylpentan-3-one.

Molecular Properties

Compound Name1-(azetidin-1-yl)-4-methylpentan-3-one
PubChem CID131213332
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name1-(azetidin-1-yl)-4-methylpentan-3-one
SMILESCC(C)C(=O)CCN1CCC1
InChIInChI=1S/C9H17NO/c1-8(2)9(11)4-7-10-5-3-6-10/h8H,3-7H2,1-2H3
InChIKeyXYHWGVTUESQXRQ-UHFFFAOYSA-N
XLogP1.31
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-methyl-1-(2-piperidin-1-ylethoxy)pentan-3-one
CID 176984393
1-(3-methyl-2-oxobutyl)pyrrolidine-2,5-dione;4-methyl-1-piperidin-1-ylpentan-3-one;propane
CID 161304756
4-methyl-1-(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)pentan-3-one
CID 156886445
3-methyl-1-piperidin-1-ylbutan-2-one
CID 160735866
2-methyl-6-(4-propan-2-ylpiperidin-1-yl)hexan-3-one
CID 155706991
3-methyl-1-[methyl(2-pyrrolidin-1-ylethyl)amino]butan-2-one
CID 79395842
1,6-dipyrrolidin-1-ylhexane-3,4-dione
CID 3628395
4-(4-methyl-1,4-diazepan-1-yl)butan-2-one
CID 28830199
4-(4-propan-2-ylpiperidin-1-yl)butan-2-one
CID 57238765
4-(azetidin-1-yl)-N,N,2-trimethylbutanamide
CID 174480580
ethane;6-(9-ethyl-3,9-diazaspiro[5.5]undecan-3-yl)-2-methylhexan-3-one
CID 169158348
N-methyl-3-pyrrolidin-1-ylpropanamide
CID 20700879

Frequently Asked Questions

What is the IUPAC name of 1-(azetidin-1-yl)-4-methylpentan-3-one?
The IUPAC name of 1-(azetidin-1-yl)-4-methylpentan-3-one (CID 131213332) is 1-(azetidin-1-yl)-4-methylpentan-3-one.
What is the SMILES notation for 1-(azetidin-1-yl)-4-methylpentan-3-one?
The canonical SMILES for 1-(azetidin-1-yl)-4-methylpentan-3-one is CC(C)C(=O)CCN1CCC1.
What is the InChIKey of 1-(azetidin-1-yl)-4-methylpentan-3-one?
The InChIKey is XYHWGVTUESQXRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-8(2)9(11)4-7-10-5-3-6-10/h8H,3-7H2,1-2H3.
What are the key properties of 1-(azetidin-1-yl)-4-methylpentan-3-one?
1-(azetidin-1-yl)-4-methylpentan-3-one has a molecular weight of 155.24 g/mol, XLogP of 1.31, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azetidin-1-yl)-4-methylpentan-3-one is sourced from PubChem (CID 131213332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).