(Z)-4-(prop-2-enylideneamino)pent-3-enoic acid

C8H11NO2 — CID 138718099

IUPAC(Z)-4-(prop-2-enylideneamino)pent-3-enoic acid
SMILESC=C/C=N/C(C)=C\CC(=O)O
InChIInChI=1S/C8H11NO2/c1-3-6-9-7(2)4-5-8(10)11/h3-4,6H,1,5H2,2H3,(H,10,11)/b7-4-,9-6+
InChIKeyYWLASKFFXMVCHQ-WCXGJSBASA-N
MW153.18 g/mol
LogP1.62
Rot. Bonds4

About (Z)-4-(prop-2-enylideneamino)pent-3-enoic acid

(Z)-4-(prop-2-enylideneamino)pent-3-enoic acid (PubChem CID 138718099) has the molecular formula C8H11NO2 and a molecular weight of 153.18 g/mol. Its IUPAC name is (Z)-4-(prop-2-enylideneamino)pent-3-enoic acid.

Molecular Properties

Compound Name(Z)-4-(prop-2-enylideneamino)pent-3-enoic acid
PubChem CID138718099
Molecular FormulaC8H11NO2
Molecular Weight153.18 g/mol
Exact Mass153.08
IUPAC Name(Z)-4-(prop-2-enylideneamino)pent-3-enoic acid
SMILESC=C/C=N/C(C)=C\CC(=O)O
InChIInChI=1S/C8H11NO2/c1-3-6-9-7(2)4-5-8(10)11/h3-4,6H,1,5H2,2H3,(H,10,11)/b7-4-,9-6+
InChIKeyYWLASKFFXMVCHQ-WCXGJSBASA-N
XLogP1.62
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.18
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-4-(prop-2-enylideneamino)pent-3-enoic acid?
The IUPAC name of (Z)-4-(prop-2-enylideneamino)pent-3-enoic acid (CID 138718099) is (Z)-4-(prop-2-enylideneamino)pent-3-enoic acid.
What is the SMILES notation for (Z)-4-(prop-2-enylideneamino)pent-3-enoic acid?
The canonical SMILES for (Z)-4-(prop-2-enylideneamino)pent-3-enoic acid is C=C/C=N/C(C)=C\CC(=O)O.
What is the InChIKey of (Z)-4-(prop-2-enylideneamino)pent-3-enoic acid?
The InChIKey is YWLASKFFXMVCHQ-WCXGJSBASA-N. The full InChI is InChI=1S/C8H11NO2/c1-3-6-9-7(2)4-5-8(10)11/h3-4,6H,1,5H2,2H3,(H,10,11)/b7-4-,9-6+.
What are the key properties of (Z)-4-(prop-2-enylideneamino)pent-3-enoic acid?
(Z)-4-(prop-2-enylideneamino)pent-3-enoic acid has a molecular weight of 153.18 g/mol, XLogP of 1.62, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-(prop-2-enylideneamino)pent-3-enoic acid is sourced from PubChem (CID 138718099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).