(E)-2-methylidene-5-phenylpent-4-enoate

C12H11O2- — CID 22242504

IUPAC(E)-2-methylidene-5-phenylpent-4-enoate
SMILESC=C(C/C=C/c1ccccc1)C(=O)[O-]
InChIInChI=1S/C12H12O2/c1-10(12(13)14)6-5-9-11-7-3-2-4-8-11/h2-5,7-9H,1,6H2,(H,13,14)/p-1/b9-5+
InChIKeyJQXYBDVZAUEPDL-WEVVVXLNSA-M
MW187.22 g/mol
LogP1.40
Rot. Bonds4

About (E)-2-methylidene-5-phenylpent-4-enoate

(E)-2-methylidene-5-phenylpent-4-enoate (PubChem CID 22242504) has the molecular formula C12H11O2- and a molecular weight of 187.22 g/mol. Its IUPAC name is (E)-2-methylidene-5-phenylpent-4-enoate.

Molecular Properties

Compound Name(E)-2-methylidene-5-phenylpent-4-enoate
PubChem CID22242504
Molecular FormulaC12H11O2-
Molecular Weight187.22 g/mol
Exact Mass187.08
IUPAC Name(E)-2-methylidene-5-phenylpent-4-enoate
SMILESC=C(C/C=C/c1ccccc1)C(=O)[O-]
InChIInChI=1S/C12H12O2/c1-10(12(13)14)6-5-9-11-7-3-2-4-8-11/h2-5,7-9H,1,6H2,(H,13,14)/p-1/b9-5+
InChIKeyJQXYBDVZAUEPDL-WEVVVXLNSA-M
XLogP1.40
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.22
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

sodium 2-methylidene-5-phenylpent-4-enoate
CID 66780635
zinc bis(4-phenylbut-3-enoate)
CID 66673127
2-methylidene-5-phenylpent-4-enoic acid;prop-2-enoyl chloride
CID 88777701
2-methylbut-2-enoic acid;2-methylidene-5-phenylpent-4-enoic acid
CID 70152927
2-methylidene-5-phenylpent-4-enoic acid;prop-2-enoic acid;styrene
CID 158748751
methyl 2-methylidene-5-phenylpent-4-enoate;methyl 2-methylprop-2-enoate
CID 66766714
2-methylidenehexanoic acid;2-methylidene-5-phenylpent-4-enoic acid
CID 69286531
(E)-1-(4-methoxyphenyl)-2-methylidene-5-phenylpent-4-en-1-one
CID 72722749
ethyl prop-2-enoate;2-methylidene-5-phenylpent-4-enoic acid
CID 67416280
[methyl-phenyl-(3-phenylprop-2-enyl)azaniumyl]formate
CID 67682452
octadecyl 2-methylidene-5-phenylpent-4-enoate
CID 70031046
4-phenylbut-3-enehydrazide
CID 173237990

Frequently Asked Questions

What is the IUPAC name of (E)-2-methylidene-5-phenylpent-4-enoate?
The IUPAC name of (E)-2-methylidene-5-phenylpent-4-enoate (CID 22242504) is (E)-2-methylidene-5-phenylpent-4-enoate.
What is the SMILES notation for (E)-2-methylidene-5-phenylpent-4-enoate?
The canonical SMILES for (E)-2-methylidene-5-phenylpent-4-enoate is C=C(C/C=C/c1ccccc1)C(=O)[O-].
What is the InChIKey of (E)-2-methylidene-5-phenylpent-4-enoate?
The InChIKey is JQXYBDVZAUEPDL-WEVVVXLNSA-M. The full InChI is InChI=1S/C12H12O2/c1-10(12(13)14)6-5-9-11-7-3-2-4-8-11/h2-5,7-9H,1,6H2,(H,13,14)/p-1/b9-5+.
What are the key properties of (E)-2-methylidene-5-phenylpent-4-enoate?
(E)-2-methylidene-5-phenylpent-4-enoate has a molecular weight of 187.22 g/mol, XLogP of 1.40, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-methylidene-5-phenylpent-4-enoate is sourced from PubChem (CID 22242504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).