(E)-4-(methylamino)-1-phenylpent-3-en-1-one

C12H15NO — CID 121007705

IUPAC(E)-4-(methylamino)-1-phenylpent-3-en-1-one
SMILESCN/C(C)=C/CC(=O)c1ccccc1
InChIInChI=1S/C12H15NO/c1-10(13-2)8-9-12(14)11-6-4-3-5-7-11/h3-8,13H,9H2,1-2H3/b10-8+
InChIKeyOQNDEOBLZYDJQI-CSKARUKUSA-N
MW189.26 g/mol
LogP2.38
Rot. Bonds4

About (E)-4-(methylamino)-1-phenylpent-3-en-1-one

(E)-4-(methylamino)-1-phenylpent-3-en-1-one (PubChem CID 121007705) has the molecular formula C12H15NO and a molecular weight of 189.26 g/mol. Its IUPAC name is (E)-4-(methylamino)-1-phenylpent-3-en-1-one.

Molecular Properties

Compound Name(E)-4-(methylamino)-1-phenylpent-3-en-1-one
PubChem CID121007705
Molecular FormulaC12H15NO
Molecular Weight189.26 g/mol
Exact Mass189.12
IUPAC Name(E)-4-(methylamino)-1-phenylpent-3-en-1-one
SMILESCN/C(C)=C/CC(=O)c1ccccc1
InChIInChI=1S/C12H15NO/c1-10(13-2)8-9-12(14)11-6-4-3-5-7-11/h3-8,13H,9H2,1-2H3/b10-8+
InChIKeyOQNDEOBLZYDJQI-CSKARUKUSA-N
XLogP2.38
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (E)-4-(methylamino)-1-phenylpent-3-en-1-one?
The IUPAC name of (E)-4-(methylamino)-1-phenylpent-3-en-1-one (CID 121007705) is (E)-4-(methylamino)-1-phenylpent-3-en-1-one.
What is the SMILES notation for (E)-4-(methylamino)-1-phenylpent-3-en-1-one?
The canonical SMILES for (E)-4-(methylamino)-1-phenylpent-3-en-1-one is CN/C(C)=C/CC(=O)c1ccccc1.
What is the InChIKey of (E)-4-(methylamino)-1-phenylpent-3-en-1-one?
The InChIKey is OQNDEOBLZYDJQI-CSKARUKUSA-N. The full InChI is InChI=1S/C12H15NO/c1-10(13-2)8-9-12(14)11-6-4-3-5-7-11/h3-8,13H,9H2,1-2H3/b10-8+.
What are the key properties of (E)-4-(methylamino)-1-phenylpent-3-en-1-one?
(E)-4-(methylamino)-1-phenylpent-3-en-1-one has a molecular weight of 189.26 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-(methylamino)-1-phenylpent-3-en-1-one is sourced from PubChem (CID 121007705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).