(propanoylamino) (2E)-2-ethenylpenta-2,4-dienoate

C10H13NO3 — CID 142213114

IUPAC(propanoylamino) (2E)-2-ethenylpenta-2,4-dienoate
SMILESC=C/C=C(\C=C)C(=O)ONC(=O)CC
InChIInChI=1S/C10H13NO3/c1-4-7-8(5-2)10(13)14-11-9(12)6-3/h4-5,7H,1-2,6H2,3H3,(H,11,12)/b8-7+
InChIKeyMVNXMZYSNMNCKH-BQYQJAHWSA-N
MW195.22 g/mol
LogP1.27
Rot. Bonds4

About (propanoylamino) (2E)-2-ethenylpenta-2,4-dienoate

(propanoylamino) (2E)-2-ethenylpenta-2,4-dienoate (PubChem CID 142213114) has the molecular formula C10H13NO3 and a molecular weight of 195.22 g/mol. Its IUPAC name is (propanoylamino) (2E)-2-ethenylpenta-2,4-dienoate.

Molecular Properties

Compound Name(propanoylamino) (2E)-2-ethenylpenta-2,4-dienoate
PubChem CID142213114
Molecular FormulaC10H13NO3
Molecular Weight195.22 g/mol
Exact Mass195.09
IUPAC Name(propanoylamino) (2E)-2-ethenylpenta-2,4-dienoate
SMILESC=C/C=C(\C=C)C(=O)ONC(=O)CC
InChIInChI=1S/C10H13NO3/c1-4-7-8(5-2)10(13)14-11-9(12)6-3/h4-5,7H,1-2,6H2,3H3,(H,11,12)/b8-7+
InChIKeyMVNXMZYSNMNCKH-BQYQJAHWSA-N
XLogP1.27
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

pentyl (2E)-2-ethenylpenta-2,4-dienoate
CID 144992758
(2-butyl-2-methylhexyl) (2E)-2-ethenylpenta-2,4-dienoate
CID 167019416
3-[(2E)-2-ethenylpenta-2,4-dienoyl]oxypropyl (2E,4Z)-2-ethenylhexa-2,4-dienoate
CID 145346902
N-[(3E)-hexa-1,3,5-trien-3-yl]propanamide;propane
CID 143474945
2-ethenyl-N,N-diethylpenta-2,4-dienamide
CID 91586528
methyl 2-ethenylhepta-2,4,6-trienoate
CID 91067832
N-[(2E)-2-ethenylpenta-2,4-dienyl]propanamide
CID 144680343
N-[(3E)-hexa-1,3,5-trien-3-yl]propanamide;molecular hydrogen
CID 143474971
benzyl (2E)-2-ethenylpenta-2,4-dienoate
CID 145309058
ethyl 2-ethenylbut-2-enoate
CID 123198246
ethyl (3Z,4E)-4-formyl-3-prop-2-enylidenehepta-4,6-dienoate
CID 142258194
(2E)-2-ethenylpenta-2,4-dienethioic S-acid
CID 142851404

Frequently Asked Questions

What is the IUPAC name of (propanoylamino) (2E)-2-ethenylpenta-2,4-dienoate?
The IUPAC name of (propanoylamino) (2E)-2-ethenylpenta-2,4-dienoate (CID 142213114) is (propanoylamino) (2E)-2-ethenylpenta-2,4-dienoate.
What is the SMILES notation for (propanoylamino) (2E)-2-ethenylpenta-2,4-dienoate?
The canonical SMILES for (propanoylamino) (2E)-2-ethenylpenta-2,4-dienoate is C=C/C=C(\C=C)C(=O)ONC(=O)CC.
What is the InChIKey of (propanoylamino) (2E)-2-ethenylpenta-2,4-dienoate?
The InChIKey is MVNXMZYSNMNCKH-BQYQJAHWSA-N. The full InChI is InChI=1S/C10H13NO3/c1-4-7-8(5-2)10(13)14-11-9(12)6-3/h4-5,7H,1-2,6H2,3H3,(H,11,12)/b8-7+.
What are the key properties of (propanoylamino) (2E)-2-ethenylpenta-2,4-dienoate?
(propanoylamino) (2E)-2-ethenylpenta-2,4-dienoate has a molecular weight of 195.22 g/mol, XLogP of 1.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (propanoylamino) (2E)-2-ethenylpenta-2,4-dienoate is sourced from PubChem (CID 142213114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).