1-[3-(3-propan-2-ylazetidin-1-yl)phenyl]ethanone

C14H19NO — CID 79671280

IUPAC1-[3-(3-propan-2-ylazetidin-1-yl)phenyl]ethanone
SMILESCC(=O)c1cccc(N2CC(C(C)C)C2)c1
InChIInChI=1S/C14H19NO/c1-10(2)13-8-15(9-13)14-6-4-5-12(7-14)11(3)16/h4-7,10,13H,8-9H2,1-3H3
InChIKeyCHDBXDIBGZFVPS-UHFFFAOYSA-N
MW217.31 g/mol
LogP2.98
Rot. Bonds3

About 1-[3-(3-propan-2-ylazetidin-1-yl)phenyl]ethanone

1-[3-(3-propan-2-ylazetidin-1-yl)phenyl]ethanone (PubChem CID 79671280) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is 1-[3-(3-propan-2-ylazetidin-1-yl)phenyl]ethanone.

Molecular Properties

Compound Name1-[3-(3-propan-2-ylazetidin-1-yl)phenyl]ethanone
PubChem CID79671280
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name1-[3-(3-propan-2-ylazetidin-1-yl)phenyl]ethanone
SMILESCC(=O)c1cccc(N2CC(C(C)C)C2)c1
InChIInChI=1S/C14H19NO/c1-10(2)13-8-15(9-13)14-6-4-5-12(7-14)11(3)16/h4-7,10,13H,8-9H2,1-3H3
InChIKeyCHDBXDIBGZFVPS-UHFFFAOYSA-N
XLogP2.98
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-(3,4,5-trimethylpiperazin-1-yl)phenyl]ethanone
CID 76702888
1-[3-(6-methyl-3,6-diazabicyclo[3.1.1]heptan-3-yl)phenyl]ethanone
CID 84793807
1-[3-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)phenyl]ethanone
CID 84785308
1-[3-(3-cyclopropyl-4-hydroxypyrrolidin-1-yl)phenyl]ethanone
CID 144853416
1-[3-(3-fluoropyrrolidin-1-yl)phenyl]ethanone
CID 115025139
1-[3-[2-(aminomethyl)aziridin-1-yl]phenyl]ethanone
CID 117010112
methyl 1-(3-acetylphenyl)pyrrolidine-3-carboxylate
CID 117028370
1-(3-acetylphenyl)piperidine-3-carbonitrile
CID 117008107
3-(6-methyl-3,6-diazabicyclo[3.1.1]heptan-3-yl)benzoic acid
CID 84795415
1-(3-acetylphenyl)-4,4-dimethylpiperidine-3-carbonitrile
CID 117025447
1-[3-[3-(2-hydroxyethylamino)pyrrolidin-1-yl]phenyl]ethanone
CID 117004457
1-(3-acetylphenyl)pyrrolidine-2,5-dione;ethane
CID 145439444

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-propan-2-ylazetidin-1-yl)phenyl]ethanone?
The IUPAC name of 1-[3-(3-propan-2-ylazetidin-1-yl)phenyl]ethanone (CID 79671280) is 1-[3-(3-propan-2-ylazetidin-1-yl)phenyl]ethanone.
What is the SMILES notation for 1-[3-(3-propan-2-ylazetidin-1-yl)phenyl]ethanone?
The canonical SMILES for 1-[3-(3-propan-2-ylazetidin-1-yl)phenyl]ethanone is CC(=O)c1cccc(N2CC(C(C)C)C2)c1.
What is the InChIKey of 1-[3-(3-propan-2-ylazetidin-1-yl)phenyl]ethanone?
The InChIKey is CHDBXDIBGZFVPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO/c1-10(2)13-8-15(9-13)14-6-4-5-12(7-14)11(3)16/h4-7,10,13H,8-9H2,1-3H3.
What are the key properties of 1-[3-(3-propan-2-ylazetidin-1-yl)phenyl]ethanone?
1-[3-(3-propan-2-ylazetidin-1-yl)phenyl]ethanone has a molecular weight of 217.31 g/mol, XLogP of 2.98, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-propan-2-ylazetidin-1-yl)phenyl]ethanone is sourced from PubChem (CID 79671280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).