(E)-5-(2-aminophenyl)pent-3-en-2-one

C11H13NO — CID 23503586

IUPAC(E)-5-(2-aminophenyl)pent-3-en-2-one
SMILESCC(=O)/C=C/Cc1ccccc1N
InChIInChI=1S/C11H13NO/c1-9(13)5-4-7-10-6-2-3-8-11(10)12/h2-6,8H,7,12H2,1H3/b5-4+
InChIKeyQAXCAFZWHDDSIM-SNAWJCMRSA-N
MW175.23 g/mol
LogP1.96
Rot. Bonds3

About (E)-5-(2-aminophenyl)pent-3-en-2-one

(E)-5-(2-aminophenyl)pent-3-en-2-one (PubChem CID 23503586) has the molecular formula C11H13NO and a molecular weight of 175.23 g/mol. Its IUPAC name is (E)-5-(2-aminophenyl)pent-3-en-2-one.

Molecular Properties

Compound Name(E)-5-(2-aminophenyl)pent-3-en-2-one
PubChem CID23503586
Molecular FormulaC11H13NO
Molecular Weight175.23 g/mol
Exact Mass175.10
IUPAC Name(E)-5-(2-aminophenyl)pent-3-en-2-one
SMILESCC(=O)/C=C/Cc1ccccc1N
InChIInChI=1S/C11H13NO/c1-9(13)5-4-7-10-6-2-3-8-11(10)12/h2-6,8H,7,12H2,1H3/b5-4+
InChIKeyQAXCAFZWHDDSIM-SNAWJCMRSA-N
XLogP1.96
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

5-(2-methoxyphenyl)pent-3-en-2-one
CID 56996331
2-(2-aminophenyl)acetaldehyde;hydrochloride
CID 87322292
ethane;2-ethylaniline
CID 90841248
2-ethylaniline;propane
CID 143529464
acetic acid;2-benzylaniline
CID 174872932
5-(2-aminophenyl)pent-2-enoic acid
CID 174865194
2-prop-2-enylaniline
CID 3036592
2-(2-aminophenyl)acetyl bromide;hydrobromide
CID 71437218
2-ethylaniline;sulfuric acid
CID 67820112
2-hydroxyethylidenetungsten;methane;2-prop-2-enylaniline
CID 161486052
N-[(2-aminophenyl)methyl]-2-oxopropanamide
CID 110478407
2-(2-aminophenyl)-N-methylacetamide
CID 16772909

Frequently Asked Questions

What is the IUPAC name of (E)-5-(2-aminophenyl)pent-3-en-2-one?
The IUPAC name of (E)-5-(2-aminophenyl)pent-3-en-2-one (CID 23503586) is (E)-5-(2-aminophenyl)pent-3-en-2-one.
What is the SMILES notation for (E)-5-(2-aminophenyl)pent-3-en-2-one?
The canonical SMILES for (E)-5-(2-aminophenyl)pent-3-en-2-one is CC(=O)/C=C/Cc1ccccc1N.
What is the InChIKey of (E)-5-(2-aminophenyl)pent-3-en-2-one?
The InChIKey is QAXCAFZWHDDSIM-SNAWJCMRSA-N. The full InChI is InChI=1S/C11H13NO/c1-9(13)5-4-7-10-6-2-3-8-11(10)12/h2-6,8H,7,12H2,1H3/b5-4+.
What are the key properties of (E)-5-(2-aminophenyl)pent-3-en-2-one?
(E)-5-(2-aminophenyl)pent-3-en-2-one has a molecular weight of 175.23 g/mol, XLogP of 1.96, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-(2-aminophenyl)pent-3-en-2-one is sourced from PubChem (CID 23503586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).