4-[(E)-2-phenylethenyl]-3-propan-2-ylazetidin-2-one

C14H17NO — CID 70066029

IUPAC4-[(E)-2-phenylethenyl]-3-propan-2-ylazetidin-2-one
SMILESCC(C)C1C(=O)NC1/C=C/c1ccccc1
InChIInChI=1S/C14H17NO/c1-10(2)13-12(15-14(13)16)9-8-11-6-4-3-5-7-11/h3-10,12-13H,1-2H3,(H,15,16)/b9-8+
InChIKeyLWVUOCZVNVPBLT-CMDGGOBGSA-N
MW215.30 g/mol
LogP2.47
Rot. Bonds3

About 4-[(E)-2-phenylethenyl]-3-propan-2-ylazetidin-2-one

4-[(E)-2-phenylethenyl]-3-propan-2-ylazetidin-2-one (PubChem CID 70066029) has the molecular formula C14H17NO and a molecular weight of 215.30 g/mol. Its IUPAC name is 4-[(E)-2-phenylethenyl]-3-propan-2-ylazetidin-2-one.

Molecular Properties

Compound Name4-[(E)-2-phenylethenyl]-3-propan-2-ylazetidin-2-one
PubChem CID70066029
Molecular FormulaC14H17NO
Molecular Weight215.30 g/mol
Exact Mass215.13
IUPAC Name4-[(E)-2-phenylethenyl]-3-propan-2-ylazetidin-2-one
SMILESCC(C)C1C(=O)NC1/C=C/c1ccccc1
InChIInChI=1S/C14H17NO/c1-10(2)13-12(15-14(13)16)9-8-11-6-4-3-5-7-11/h3-10,12-13H,1-2H3,(H,15,16)/b9-8+
InChIKeyLWVUOCZVNVPBLT-CMDGGOBGSA-N
XLogP2.47
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(3R,4S)-3-[(1S)-1-[dimethyl(phenyl)silyl]ethyl]-4-[(E)-2-phenylethenyl]azetidin-2-one
CID 10806744
(3S,4R)-3-methoxy-4-(2-phenylethenyl)azetidin-2-one
CID 67831878
3-ethyl-4-(2-phenylethenyl)azetidin-2-one
CID 54427704
[(1S)-1-[(3S,4S)-2-oxo-4-[(E)-2-phenylethenyl]azetidin-3-yl]ethyl] dodecanoate
CID 10597081
(4S,5R)-5-[(E)-2-phenylethenyl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 102013687
(3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-[(E)-2-phenylethenyl]azetidin-2-one
CID 53254254
(2S,5S)-3-methyl-2-[(E)-2-phenylethenyl]-5-propan-2-ylimidazolidin-4-one
CID 101494144
ethyl N-[2-oxo-4-(2-phenylethenyl)azetidin-3-yl]carbamate
CID 70500389
4,6-dioxo-1-(2-phenylethenyl)-3-propan-2-yl-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid
CID 3864005
3-methyl-2-[(E)-2-phenylethenyl]-2,3,6,7-tetrahydro-1H-quinolin-4-one
CID 135128680
(3R,4S)-4-(2-phenylethyl)-3-propan-2-ylazetidin-2-one
CID 15422959
N-[(3R,4S)-2-oxo-4-[(E)-2-phenylethenyl]azetidin-3-yl]-2-phenoxyacetamide
CID 70574394

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-phenylethenyl]-3-propan-2-ylazetidin-2-one?
The IUPAC name of 4-[(E)-2-phenylethenyl]-3-propan-2-ylazetidin-2-one (CID 70066029) is 4-[(E)-2-phenylethenyl]-3-propan-2-ylazetidin-2-one.
What is the SMILES notation for 4-[(E)-2-phenylethenyl]-3-propan-2-ylazetidin-2-one?
The canonical SMILES for 4-[(E)-2-phenylethenyl]-3-propan-2-ylazetidin-2-one is CC(C)C1C(=O)NC1/C=C/c1ccccc1.
What is the InChIKey of 4-[(E)-2-phenylethenyl]-3-propan-2-ylazetidin-2-one?
The InChIKey is LWVUOCZVNVPBLT-CMDGGOBGSA-N. The full InChI is InChI=1S/C14H17NO/c1-10(2)13-12(15-14(13)16)9-8-11-6-4-3-5-7-11/h3-10,12-13H,1-2H3,(H,15,16)/b9-8+.
What are the key properties of 4-[(E)-2-phenylethenyl]-3-propan-2-ylazetidin-2-one?
4-[(E)-2-phenylethenyl]-3-propan-2-ylazetidin-2-one has a molecular weight of 215.30 g/mol, XLogP of 2.47, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-phenylethenyl]-3-propan-2-ylazetidin-2-one is sourced from PubChem (CID 70066029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).