N-[(E)-1-phenylbut-2-en-2-yl]acetamide

C12H15NO — CID 174681056

IUPACN-[(E)-1-phenylbut-2-en-2-yl]acetamide
SMILESC/C=C(\Cc1ccccc1)NC(C)=O
InChIInChI=1S/C12H15NO/c1-3-12(13-10(2)14)9-11-7-5-4-6-8-11/h3-8H,9H2,1-2H3,(H,13,14)/b12-3+
InChIKeyGYCAXAZQEQGIHC-KGVSQERTSA-N
MW189.26 g/mol
LogP2.27
Rot. Bonds3

About N-[(E)-1-phenylbut-2-en-2-yl]acetamide

N-[(E)-1-phenylbut-2-en-2-yl]acetamide (PubChem CID 174681056) has the molecular formula C12H15NO and a molecular weight of 189.26 g/mol. Its IUPAC name is N-[(E)-1-phenylbut-2-en-2-yl]acetamide.

Molecular Properties

Compound NameN-[(E)-1-phenylbut-2-en-2-yl]acetamide
PubChem CID174681056
Molecular FormulaC12H15NO
Molecular Weight189.26 g/mol
Exact Mass189.12
IUPAC NameN-[(E)-1-phenylbut-2-en-2-yl]acetamide
SMILESC/C=C(\Cc1ccccc1)NC(C)=O
InChIInChI=1S/C12H15NO/c1-3-12(13-10(2)14)9-11-7-5-4-6-8-11/h3-8H,9H2,1-2H3,(H,13,14)/b12-3+
InChIKeyGYCAXAZQEQGIHC-KGVSQERTSA-N
XLogP2.27
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(2-phenylethanethioyl)acetamide
CID 130016575
2-phenyl-N-[(Z)-prop-1-enyl]acetamide
CID 124527116
(E)-3-benzylpent-3-en-2-one
CID 10821122
benzene;1-phenylpropan-2-one
CID 21430852
ethene;(Z)-N-ethyl-1-phenylbut-2-en-2-amine
CID 145328256
tert-butyl N-[[(Z)-1-phenylbut-2-en-2-yl]amino]carbamate
CID 21186039
[(Z)-2-methylbut-2-enyl]benzene
CID 59870366
benzyl (Z)-3-acetamidobut-2-enoate
CID 11031773
3-benzylpent-3-enoic acid;ethane
CID 90707925
3-methyl-4-phenylbut-2-enoic acid
CID 22414
(E)-3-methyl-4-phenylbut-2-enoic acid
CID 6369541
3-oxobutanoic acid;2-phenylacetic acid
CID 91330939

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-phenylbut-2-en-2-yl]acetamide?
The IUPAC name of N-[(E)-1-phenylbut-2-en-2-yl]acetamide (CID 174681056) is N-[(E)-1-phenylbut-2-en-2-yl]acetamide.
What is the SMILES notation for N-[(E)-1-phenylbut-2-en-2-yl]acetamide?
The canonical SMILES for N-[(E)-1-phenylbut-2-en-2-yl]acetamide is C/C=C(\Cc1ccccc1)NC(C)=O.
What is the InChIKey of N-[(E)-1-phenylbut-2-en-2-yl]acetamide?
The InChIKey is GYCAXAZQEQGIHC-KGVSQERTSA-N. The full InChI is InChI=1S/C12H15NO/c1-3-12(13-10(2)14)9-11-7-5-4-6-8-11/h3-8H,9H2,1-2H3,(H,13,14)/b12-3+.
What are the key properties of N-[(E)-1-phenylbut-2-en-2-yl]acetamide?
N-[(E)-1-phenylbut-2-en-2-yl]acetamide has a molecular weight of 189.26 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-phenylbut-2-en-2-yl]acetamide is sourced from PubChem (CID 174681056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).