1-[2-[methyl-[(Z)-prop-1-enyl]amino]phenyl]ethanone

C12H15NO — CID 142814398

IUPAC1-[2-[methyl-[(Z)-prop-1-enyl]amino]phenyl]ethanone
SMILESC/C=C\N(C)c1ccccc1C(C)=O
InChIInChI=1S/C12H15NO/c1-4-9-13(3)12-8-6-5-7-11(12)10(2)14/h4-9H,1-3H3/b9-4-
InChIKeyDERIYWIMTCDNPG-WTKPLQERSA-N
MW189.26 g/mol
LogP2.86
Rot. Bonds3

About 1-[2-[methyl-[(Z)-prop-1-enyl]amino]phenyl]ethanone

1-[2-[methyl-[(Z)-prop-1-enyl]amino]phenyl]ethanone (PubChem CID 142814398) has the molecular formula C12H15NO and a molecular weight of 189.26 g/mol. Its IUPAC name is 1-[2-[methyl-[(Z)-prop-1-enyl]amino]phenyl]ethanone.

Molecular Properties

Compound Name1-[2-[methyl-[(Z)-prop-1-enyl]amino]phenyl]ethanone
PubChem CID142814398
Molecular FormulaC12H15NO
Molecular Weight189.26 g/mol
Exact Mass189.12
IUPAC Name1-[2-[methyl-[(Z)-prop-1-enyl]amino]phenyl]ethanone
SMILESC/C=C\N(C)c1ccccc1C(C)=O
InChIInChI=1S/C12H15NO/c1-4-9-13(3)12-8-6-5-7-11(12)10(2)14/h4-9H,1-3H3/b9-4-
InChIKeyDERIYWIMTCDNPG-WTKPLQERSA-N
XLogP2.86
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-acetylphenyl)-N,3-dimethylbut-2-enamide
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acetaldehyde;1-(2-acetylphenyl)ethanone
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1-[2-[N-methyl-2-(N-methyl-2-prop-1-en-2-ylanilino)anilino]phenyl]ethanone
CID 137482788
1-[2-[2-hydroxypropyl(methyl)amino]phenyl]ethanone
CID 62332772
1-(2-acetylphenyl)ethanone;methane
CID 158210616
1-[2-[(4-bromophenyl)methyl-methylamino]phenyl]ethanone
CID 60699051
1-[2-[2-methoxyethyl(methyl)amino]phenyl]ethanone
CID 61427259
1-[2-[cyclohexyl(methyl)amino]phenyl]ethanone
CID 43176964
2-[methyl-[(E)-4,4,4-trifluoro-3-oxobut-1-enyl]amino]benzoate
CID 2341899
1-[2-[ethyl(propyl)amino]phenyl]ethanone
CID 43268854
1-[2-[(3-bromophenyl)methyl-methylamino]phenyl]ethanone
CID 61416058
N-benzyl-N-[(Z)-prop-1-enyl]acetamide
CID 68566363

Frequently Asked Questions

What is the IUPAC name of 1-[2-[methyl-[(Z)-prop-1-enyl]amino]phenyl]ethanone?
The IUPAC name of 1-[2-[methyl-[(Z)-prop-1-enyl]amino]phenyl]ethanone (CID 142814398) is 1-[2-[methyl-[(Z)-prop-1-enyl]amino]phenyl]ethanone.
What is the SMILES notation for 1-[2-[methyl-[(Z)-prop-1-enyl]amino]phenyl]ethanone?
The canonical SMILES for 1-[2-[methyl-[(Z)-prop-1-enyl]amino]phenyl]ethanone is C/C=C\N(C)c1ccccc1C(C)=O.
What is the InChIKey of 1-[2-[methyl-[(Z)-prop-1-enyl]amino]phenyl]ethanone?
The InChIKey is DERIYWIMTCDNPG-WTKPLQERSA-N. The full InChI is InChI=1S/C12H15NO/c1-4-9-13(3)12-8-6-5-7-11(12)10(2)14/h4-9H,1-3H3/b9-4-.
What are the key properties of 1-[2-[methyl-[(Z)-prop-1-enyl]amino]phenyl]ethanone?
1-[2-[methyl-[(Z)-prop-1-enyl]amino]phenyl]ethanone has a molecular weight of 189.26 g/mol, XLogP of 2.86, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[methyl-[(Z)-prop-1-enyl]amino]phenyl]ethanone is sourced from PubChem (CID 142814398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).