(Z)-5-naphthalen-2-yl-4-oxopent-2-enoic acid

C15H12O3 — CID 59268445

IUPAC(Z)-5-naphthalen-2-yl-4-oxopent-2-enoic acid
SMILESO=C(O)/C=C\C(=O)Cc1ccc2ccccc2c1
InChIInChI=1S/C15H12O3/c16-14(7-8-15(17)18)10-11-5-6-12-3-1-2-4-13(12)9-11/h1-9H,10H2,(H,17,18)/b8-7-
InChIKeyVYYGUEADUSPZFI-FPLPWBNLSA-N
MW240.26 g/mol
LogP2.59
Rot. Bonds4

About (Z)-5-naphthalen-2-yl-4-oxopent-2-enoic acid

(Z)-5-naphthalen-2-yl-4-oxopent-2-enoic acid (PubChem CID 59268445) has the molecular formula C15H12O3 and a molecular weight of 240.26 g/mol. Its IUPAC name is (Z)-5-naphthalen-2-yl-4-oxopent-2-enoic acid.

Molecular Properties

Compound Name(Z)-5-naphthalen-2-yl-4-oxopent-2-enoic acid
PubChem CID59268445
Molecular FormulaC15H12O3
Molecular Weight240.26 g/mol
Exact Mass240.08
IUPAC Name(Z)-5-naphthalen-2-yl-4-oxopent-2-enoic acid
SMILESO=C(O)/C=C\C(=O)Cc1ccc2ccccc2c1
InChIInChI=1S/C15H12O3/c16-14(7-8-15(17)18)10-11-5-6-12-3-1-2-4-13(12)9-11/h1-9H,10H2,(H,17,18)/b8-7-
InChIKeyVYYGUEADUSPZFI-FPLPWBNLSA-N
XLogP2.59
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-4-naphthalen-2-ylbut-2-enoic acid
CID 11789094
2-naphthalen-2-ylacetic acid;hydrate
CID 141284527
CID 173442082
CID 173442082
4-[benzyl(naphthalen-2-ylmethyl)amino]-4-oxobut-2-enoic acid
CID 68879443
(Z)-3-[2-(naphthalen-2-ylmethyl)phenyl]prop-2-enoic acid
CID 177483326
(E)-4-(2-naphthalen-2-ylethylamino)-4-oxobut-2-enoic acid
CID 115177298
sodium 2-naphthalen-2-ylacetate
CID 23688045
(E)-4-[methyl(2-naphthalen-2-ylethyl)amino]but-2-enoic acid
CID 115237385
2-[methyl-(2-naphthalen-2-ylacetyl)amino]acetic acid
CID 18071237
(Z)-3-[(2-naphthalen-2-ylacetyl)amino]-3-phenylprop-2-enoic acid
CID 71054545
3-naphthalen-2-yl-2-oxopropanamide
CID 57061050
iodo 2-naphthalen-2-ylacetate
CID 129274840

Frequently Asked Questions

What is the IUPAC name of (Z)-5-naphthalen-2-yl-4-oxopent-2-enoic acid?
The IUPAC name of (Z)-5-naphthalen-2-yl-4-oxopent-2-enoic acid (CID 59268445) is (Z)-5-naphthalen-2-yl-4-oxopent-2-enoic acid.
What is the SMILES notation for (Z)-5-naphthalen-2-yl-4-oxopent-2-enoic acid?
The canonical SMILES for (Z)-5-naphthalen-2-yl-4-oxopent-2-enoic acid is O=C(O)/C=C\C(=O)Cc1ccc2ccccc2c1.
What is the InChIKey of (Z)-5-naphthalen-2-yl-4-oxopent-2-enoic acid?
The InChIKey is VYYGUEADUSPZFI-FPLPWBNLSA-N. The full InChI is InChI=1S/C15H12O3/c16-14(7-8-15(17)18)10-11-5-6-12-3-1-2-4-13(12)9-11/h1-9H,10H2,(H,17,18)/b8-7-.
What are the key properties of (Z)-5-naphthalen-2-yl-4-oxopent-2-enoic acid?
(Z)-5-naphthalen-2-yl-4-oxopent-2-enoic acid has a molecular weight of 240.26 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-5-naphthalen-2-yl-4-oxopent-2-enoic acid is sourced from PubChem (CID 59268445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).