1-(3-ethyl-3-phenylazetidin-1-yl)pentan-1-one

C16H23NO — CID 163612961

IUPAC1-(3-ethyl-3-phenylazetidin-1-yl)pentan-1-one
SMILESCCCCC(=O)N1CC(CC)(c2ccccc2)C1
InChIInChI=1S/C16H23NO/c1-3-5-11-15(18)17-12-16(4-2,13-17)14-9-7-6-8-10-14/h6-10H,3-5,11-13H2,1-2H3
InChIKeyHHNPFRXIQNRRQO-UHFFFAOYSA-N
MW245.37 g/mol
LogP3.37
Rot. Bonds5

About 1-(3-ethyl-3-phenylazetidin-1-yl)pentan-1-one

1-(3-ethyl-3-phenylazetidin-1-yl)pentan-1-one (PubChem CID 163612961) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is 1-(3-ethyl-3-phenylazetidin-1-yl)pentan-1-one.

Molecular Properties

Compound Name1-(3-ethyl-3-phenylazetidin-1-yl)pentan-1-one
PubChem CID163612961
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC Name1-(3-ethyl-3-phenylazetidin-1-yl)pentan-1-one
SMILESCCCCC(=O)N1CC(CC)(c2ccccc2)C1
InChIInChI=1S/C16H23NO/c1-3-5-11-15(18)17-12-16(4-2,13-17)14-9-7-6-8-10-14/h6-10H,3-5,11-13H2,1-2H3
InChIKeyHHNPFRXIQNRRQO-UHFFFAOYSA-N
XLogP3.37
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-pentanoyl-N-phenylpiperidine-4-carboxamide
CID 17491790
1-(4-phenyl-1,4-diazepan-1-yl)pentan-1-one
CID 110873769
1-butanoyl-4-phenylpiperidine-4-carboxylic acid
CID 22240994
1-[4,7,10,13,16-penta(pentanoyl)-1,4,7,10,13,16-hexazacyclooctadec-1-yl]pentan-1-one
CID 603333
1-[4-(2-hydroxybenzoyl)piperazin-1-yl]pentan-1-one
CID 108534806
1-(3-phenyl-1-bicyclo[1.1.0]butanyl)pentan-1-one
CID 176907665
1-[4-[2-(2-chlorophenyl)acetyl]-1,4-diazepan-1-yl]pentan-1-one
CID 110797231
1-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)piperidin-1-yl]pentan-1-one
CID 113006316
1-(1,3-dihydroisoindol-2-yl)butan-1-one
CID 63613926
3-ethyl-N-(2-morpholin-4-ylethyl)-3-phenylazetidine-1-carboxamide
CID 138045017
1-(4-benzyl-4-methylpiperazin-4-ium-1-yl)icosan-1-one
CID 24944663
4-pentanoyl-1-phenyl-1,4-diazepan-2-one
CID 110873832

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethyl-3-phenylazetidin-1-yl)pentan-1-one?
The IUPAC name of 1-(3-ethyl-3-phenylazetidin-1-yl)pentan-1-one (CID 163612961) is 1-(3-ethyl-3-phenylazetidin-1-yl)pentan-1-one.
What is the SMILES notation for 1-(3-ethyl-3-phenylazetidin-1-yl)pentan-1-one?
The canonical SMILES for 1-(3-ethyl-3-phenylazetidin-1-yl)pentan-1-one is CCCCC(=O)N1CC(CC)(c2ccccc2)C1.
What is the InChIKey of 1-(3-ethyl-3-phenylazetidin-1-yl)pentan-1-one?
The InChIKey is HHNPFRXIQNRRQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO/c1-3-5-11-15(18)17-12-16(4-2,13-17)14-9-7-6-8-10-14/h6-10H,3-5,11-13H2,1-2H3.
What are the key properties of 1-(3-ethyl-3-phenylazetidin-1-yl)pentan-1-one?
1-(3-ethyl-3-phenylazetidin-1-yl)pentan-1-one has a molecular weight of 245.37 g/mol, XLogP of 3.37, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethyl-3-phenylazetidin-1-yl)pentan-1-one is sourced from PubChem (CID 163612961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).