(2Z)-2-(1H-isochromen-4-ylidene)acetic acid

C11H10O3 — CID 134230447

IUPAC(2Z)-2-(1H-isochromen-4-ylidene)acetic acid
SMILESO=C(O)/C=C1\COCc2ccccc21
InChIInChI=1S/C11H10O3/c12-11(13)5-9-7-14-6-8-3-1-2-4-10(8)9/h1-5H,6-7H2,(H,12,13)/b9-5+
InChIKeyPGZLHDAHDJHBQL-WEVVVXLNSA-N
MW190.20 g/mol
LogP1.68
Rot. Bonds1

About (2Z)-2-(1H-isochromen-4-ylidene)acetic acid

(2Z)-2-(1H-isochromen-4-ylidene)acetic acid (PubChem CID 134230447) has the molecular formula C11H10O3 and a molecular weight of 190.20 g/mol. Its IUPAC name is (2Z)-2-(1H-isochromen-4-ylidene)acetic acid.

Molecular Properties

Compound Name(2Z)-2-(1H-isochromen-4-ylidene)acetic acid
PubChem CID134230447
Molecular FormulaC11H10O3
Molecular Weight190.20 g/mol
Exact Mass190.06
IUPAC Name(2Z)-2-(1H-isochromen-4-ylidene)acetic acid
SMILESO=C(O)/C=C1\COCc2ccccc21
InChIInChI=1S/C11H10O3/c12-11(13)5-9-7-14-6-8-3-1-2-4-10(8)9/h1-5H,6-7H2,(H,12,13)/b9-5+
InChIKeyPGZLHDAHDJHBQL-WEVVVXLNSA-N
XLogP1.68
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.20
LogP ≤ 51.68
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

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(2E)-2-(4-methyl-2,3-dihydroinden-1-ylidene)acetic acid
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(2Z)-2-[3-(chloromethyl)-6H-benzo[c][1]benzoxepin-11-ylidene]acetic acid
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9H-fluorene;bis(prop-2-enoic acid)
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2-(2-oxo-1,10-dihydroanthracen-9-ylidene)acetic acid
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(2E)-2-spiro[2H-indene-3,1'-cyclopentane]-1-ylideneacetic acid
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(2Z)-2-(4-methyl-1-oxo-3,4-dihydronaphthalen-2-ylidene)acetic acid
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ethyl 2-(7-methoxy-1H-isochromen-4-ylidene)acetate
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3H-2-benzofuran-1-one;benzoic acid;ethane
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(2E)-2-(6-chloro-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenylidene)acetic acid
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Frequently Asked Questions

What is the IUPAC name of (2Z)-2-(1H-isochromen-4-ylidene)acetic acid?
The IUPAC name of (2Z)-2-(1H-isochromen-4-ylidene)acetic acid (CID 134230447) is (2Z)-2-(1H-isochromen-4-ylidene)acetic acid.
What is the SMILES notation for (2Z)-2-(1H-isochromen-4-ylidene)acetic acid?
The canonical SMILES for (2Z)-2-(1H-isochromen-4-ylidene)acetic acid is O=C(O)/C=C1\COCc2ccccc21.
What is the InChIKey of (2Z)-2-(1H-isochromen-4-ylidene)acetic acid?
The InChIKey is PGZLHDAHDJHBQL-WEVVVXLNSA-N. The full InChI is InChI=1S/C11H10O3/c12-11(13)5-9-7-14-6-8-3-1-2-4-10(8)9/h1-5H,6-7H2,(H,12,13)/b9-5+.
What are the key properties of (2Z)-2-(1H-isochromen-4-ylidene)acetic acid?
(2Z)-2-(1H-isochromen-4-ylidene)acetic acid has a molecular weight of 190.20 g/mol, XLogP of 1.68, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-(1H-isochromen-4-ylidene)acetic acid is sourced from PubChem (CID 134230447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).