(E)-5-[benzyl(methyl)amino]pent-4-en-2-one

C13H17NO — CID 101461790

IUPAC(E)-5-[benzyl(methyl)amino]pent-4-en-2-one
SMILESCC(=O)C/C=C/N(C)Cc1ccccc1
InChIInChI=1S/C13H17NO/c1-12(15)7-6-10-14(2)11-13-8-4-3-5-9-13/h3-6,8-10H,7,11H2,1-2H3/b10-6+
InChIKeyHGCMYCMQSNMGJL-UXBLZVDNSA-N
MW203.28 g/mol
LogP2.61
Rot. Bonds5

About (E)-5-[benzyl(methyl)amino]pent-4-en-2-one

(E)-5-[benzyl(methyl)amino]pent-4-en-2-one (PubChem CID 101461790) has the molecular formula C13H17NO and a molecular weight of 203.28 g/mol. Its IUPAC name is (E)-5-[benzyl(methyl)amino]pent-4-en-2-one.

Molecular Properties

Compound Name(E)-5-[benzyl(methyl)amino]pent-4-en-2-one
PubChem CID101461790
Molecular FormulaC13H17NO
Molecular Weight203.28 g/mol
Exact Mass203.13
IUPAC Name(E)-5-[benzyl(methyl)amino]pent-4-en-2-one
SMILESCC(=O)C/C=C/N(C)Cc1ccccc1
InChIInChI=1S/C13H17NO/c1-12(15)7-6-10-14(2)11-13-8-4-3-5-9-13/h3-6,8-10H,7,11H2,1-2H3/b10-6+
InChIKeyHGCMYCMQSNMGJL-UXBLZVDNSA-N
XLogP2.61
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(E)-1-[benzyl(methyl)amino]pent-1-en-3-one
CID 122202331
N-benzyl-N-[(E)-but-1-enyl]acetamide
CID 13494620
carbonic acid;N,N-dimethyl-1-phenylmethanamine
CID 69138278
N-benzyl-N-[(Z)-prop-1-enyl]acetamide
CID 68566363
(1Z,3Z)-N-benzyl-N-methylhexa-1,3,5-trien-1-amine
CID 167283713
N-benzyl-N-(1-oxopropan-2-yl)acetamide
CID 19757605
N-benzyl-N-methyl-1-phenylmethanamine;oxalic acid
CID 163328136
N-methyl-3-oxo-N-(3-phenylprop-1-enyl)butanamide
CID 174416598
N-benzyl-N-propan-2-ylacetamide
CID 23534449
3-[methyl-[(4-methylphenyl)methyl]amino]prop-2-enoic acid
CID 79889279
(E)-4-[benzyl(prop-2-enyl)amino]but-3-en-2-one
CID 135043163
N-[2-[acetyl(benzyl)amino]ethyl]-N-benzylacetamide
CID 562449

Frequently Asked Questions

What is the IUPAC name of (E)-5-[benzyl(methyl)amino]pent-4-en-2-one?
The IUPAC name of (E)-5-[benzyl(methyl)amino]pent-4-en-2-one (CID 101461790) is (E)-5-[benzyl(methyl)amino]pent-4-en-2-one.
What is the SMILES notation for (E)-5-[benzyl(methyl)amino]pent-4-en-2-one?
The canonical SMILES for (E)-5-[benzyl(methyl)amino]pent-4-en-2-one is CC(=O)C/C=C/N(C)Cc1ccccc1.
What is the InChIKey of (E)-5-[benzyl(methyl)amino]pent-4-en-2-one?
The InChIKey is HGCMYCMQSNMGJL-UXBLZVDNSA-N. The full InChI is InChI=1S/C13H17NO/c1-12(15)7-6-10-14(2)11-13-8-4-3-5-9-13/h3-6,8-10H,7,11H2,1-2H3/b10-6+.
What are the key properties of (E)-5-[benzyl(methyl)amino]pent-4-en-2-one?
(E)-5-[benzyl(methyl)amino]pent-4-en-2-one has a molecular weight of 203.28 g/mol, XLogP of 2.61, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-[benzyl(methyl)amino]pent-4-en-2-one is sourced from PubChem (CID 101461790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).