chromen-2-one;bis(prop-2-enoic acid)

C15H14O6 — CID 175490612

IUPACchromen-2-one;bis(prop-2-enoic acid)
SMILESC=CC(=O)O.C=CC(=O)O.O=c1ccc2ccccc2o1
InChIInChI=1S/C9H6O2.2C3H4O2/c10-9-6-5-7-3-1-2-4-8(7)11-9;2*1-2-3(4)5/h1-6H;2*2H,1H2,(H,4,5)
InChIKeyGVZQPZCMXSWMAP-UHFFFAOYSA-N
MW290.27 g/mol
LogP2.31
Rot. Bonds2

About chromen-2-one;bis(prop-2-enoic acid)

chromen-2-one;bis(prop-2-enoic acid) (PubChem CID 175490612) has the molecular formula C15H14O6 and a molecular weight of 290.27 g/mol. Its IUPAC name is chromen-2-one;bis(prop-2-enoic acid).

Molecular Properties

Compound Namechromen-2-one;bis(prop-2-enoic acid)
PubChem CID175490612
Molecular FormulaC15H14O6
Molecular Weight290.27 g/mol
Exact Mass290.08
IUPAC Namechromen-2-one;bis(prop-2-enoic acid)
SMILESC=CC(=O)O.C=CC(=O)O.O=c1ccc2ccccc2o1
InChIInChI=1S/C9H6O2.2C3H4O2/c10-9-6-5-7-3-1-2-4-8(7)11-9;2*1-2-3(4)5/h1-6H;2*2H,1H2,(H,4,5)
InChIKeyGVZQPZCMXSWMAP-UHFFFAOYSA-N
XLogP2.31
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.27
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

chromen-2-one;N-methylprop-2-enamide
CID 175576112
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CID 175414540
CID 155018405
CID 155018405
phenanthrene;prop-2-enoic acid
CID 88600118
chromen-2-one;tetradecanoic acid
CID 175211555
chromen-2-one;quinoxaline
CID 174951370
chromen-2-one;piperidine
CID 162207704
chromen-2-one;2,6-diaminohexanoic acid
CID 118237796
2,2-bis(1H-pyrazol-5-yl)acetic acid;chromen-2-one
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chromen-2-one;undecan-2-one
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Frequently Asked Questions

What is the IUPAC name of chromen-2-one;bis(prop-2-enoic acid)?
The IUPAC name of chromen-2-one;bis(prop-2-enoic acid) (CID 175490612) is chromen-2-one;bis(prop-2-enoic acid).
What is the SMILES notation for chromen-2-one;bis(prop-2-enoic acid)?
The canonical SMILES for chromen-2-one;bis(prop-2-enoic acid) is C=CC(=O)O.C=CC(=O)O.O=c1ccc2ccccc2o1.
What is the InChIKey of chromen-2-one;bis(prop-2-enoic acid)?
The InChIKey is GVZQPZCMXSWMAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6O2.2C3H4O2/c10-9-6-5-7-3-1-2-4-8(7)11-9;2*1-2-3(4)5/h1-6H;2*2H,1H2,(H,4,5).
What are the key properties of chromen-2-one;bis(prop-2-enoic acid)?
chromen-2-one;bis(prop-2-enoic acid) has a molecular weight of 290.27 g/mol, XLogP of 2.31, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for chromen-2-one;bis(prop-2-enoic acid) is sourced from PubChem (CID 175490612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).