(Z)-4-oxo-4-pent-1-enoxybut-2-enoic acid

C9H12O4 — CID 150808319

IUPAC(Z)-4-oxo-4-pent-1-enoxybut-2-enoic acid
SMILESCCCC=COC(=O)/C=C\C(=O)O
InChIInChI=1S/C9H12O4/c1-2-3-4-7-13-9(12)6-5-8(10)11/h4-7H,2-3H2,1H3,(H,10,11)/b6-5-,7-4?
InChIKeyKHIVZFWUYFGUSL-DQSSLREUSA-N
MW184.19 g/mol
LogP1.48
Rot. Bonds5

About (Z)-4-oxo-4-pent-1-enoxybut-2-enoic acid

(Z)-4-oxo-4-pent-1-enoxybut-2-enoic acid (PubChem CID 150808319) has the molecular formula C9H12O4 and a molecular weight of 184.19 g/mol. Its IUPAC name is (Z)-4-oxo-4-pent-1-enoxybut-2-enoic acid.

Molecular Properties

Compound Name(Z)-4-oxo-4-pent-1-enoxybut-2-enoic acid
PubChem CID150808319
Molecular FormulaC9H12O4
Molecular Weight184.19 g/mol
Exact Mass184.07
IUPAC Name(Z)-4-oxo-4-pent-1-enoxybut-2-enoic acid
SMILESCCCC=COC(=O)/C=C\C(=O)O
InChIInChI=1S/C9H12O4/c1-2-3-4-7-13-9(12)6-5-8(10)11/h4-7H,2-3H2,1H3,(H,10,11)/b6-5-,7-4?
InChIKeyKHIVZFWUYFGUSL-DQSSLREUSA-N
XLogP1.48
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.19
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (Z)-4-oxo-4-pent-1-enoxybut-2-enoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(Z)-4-octa-1,3-dienoxy-4-oxobut-2-enoic acid
CID 87949765
octadec-1-enyl icos-2-enoate
CID 53437848
icos-1-enyl docos-2-enoate
CID 54494040
(E)-hex-2-enoic acid
CID 5282707
pent-1-enyl carbonobromidate
CID 141324440
docosakis(hex-2-enoic acid);phosphane
CID 174896095
[(Z)-oct-1-enyl] (E)-but-2-enoate
CID 101221127
diethyl but-2-enedioate;4-ethoxy-4-oxobut-2-enoic acid
CID 158661687
bis[(Z)-hex-2-enyl] (E)-but-2-enedioate
CID 24805711
carboxy hex-2-enoate
CID 150448885
(Z)-4-[(1E)-buta-1,3-dienoxy]-4-oxobut-2-enoic acid
CID 141223387
(Z)-4-butoxy-4-oxobut-2-enoic acid
CID 175730618

Frequently Asked Questions

What is the IUPAC name of (Z)-4-oxo-4-pent-1-enoxybut-2-enoic acid?
The IUPAC name of (Z)-4-oxo-4-pent-1-enoxybut-2-enoic acid (CID 150808319) is (Z)-4-oxo-4-pent-1-enoxybut-2-enoic acid.
What is the SMILES notation for (Z)-4-oxo-4-pent-1-enoxybut-2-enoic acid?
The canonical SMILES for (Z)-4-oxo-4-pent-1-enoxybut-2-enoic acid is CCCC=COC(=O)/C=C\C(=O)O.
What is the InChIKey of (Z)-4-oxo-4-pent-1-enoxybut-2-enoic acid?
The InChIKey is KHIVZFWUYFGUSL-DQSSLREUSA-N. The full InChI is InChI=1S/C9H12O4/c1-2-3-4-7-13-9(12)6-5-8(10)11/h4-7H,2-3H2,1H3,(H,10,11)/b6-5-,7-4?.
What are the key properties of (Z)-4-oxo-4-pent-1-enoxybut-2-enoic acid?
(Z)-4-oxo-4-pent-1-enoxybut-2-enoic acid has a molecular weight of 184.19 g/mol, XLogP of 1.48, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-oxo-4-pent-1-enoxybut-2-enoic acid is sourced from PubChem (CID 150808319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).