5-[(E)-3-hydroxyprop-1-enyl]-6-oxopyran-2-carboxylate

C9H7O5- — CID 102515144

IUPAC5-[(E)-3-hydroxyprop-1-enyl]-6-oxopyran-2-carboxylate
SMILESO=C([O-])c1ccc(/C=C/CO)c(=O)o1
InChIInChI=1S/C9H8O5/c10-5-1-2-6-3-4-7(8(11)12)14-9(6)13/h1-4,10H,5H2,(H,11,12)/p-1/b2-1+
InChIKeyZHVDMMGTPDSABS-OWOJBTEDSA-M
MW195.15 g/mol
LogP-0.99
Rot. Bonds3

About 5-[(E)-3-hydroxyprop-1-enyl]-6-oxopyran-2-carboxylate

5-[(E)-3-hydroxyprop-1-enyl]-6-oxopyran-2-carboxylate (PubChem CID 102515144) has the molecular formula C9H7O5- and a molecular weight of 195.15 g/mol. Its IUPAC name is 5-[(E)-3-hydroxyprop-1-enyl]-6-oxopyran-2-carboxylate.

Molecular Properties

Compound Name5-[(E)-3-hydroxyprop-1-enyl]-6-oxopyran-2-carboxylate
PubChem CID102515144
Molecular FormulaC9H7O5-
Molecular Weight195.15 g/mol
Exact Mass195.03
IUPAC Name5-[(E)-3-hydroxyprop-1-enyl]-6-oxopyran-2-carboxylate
SMILESO=C([O-])c1ccc(/C=C/CO)c(=O)o1
InChIInChI=1S/C9H8O5/c10-5-1-2-6-3-4-7(8(11)12)14-9(6)13/h1-4,10H,5H2,(H,11,12)/p-1/b2-1+
InChIKeyZHVDMMGTPDSABS-OWOJBTEDSA-M
XLogP-0.99
TPSA90.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.15
LogP ≤ 5-0.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 12039
alpha-Pyrone-4,6-dicarboxylic acid
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Lissoclinolide
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4-methyl-2-oxo-2H-pyran-6-carboxylic acid
CID 2739563
3-(1-Carboxyethenoxy)-4-hydroxycyclohexa-1,5-diene-1-carboxylic acid
CID 306
Tetrenolin
CID 6433948
2-hydroxy-2H-pyran-4,6-dicarboxylate
CID 25203591
4-Carboxy-2-hydroxymuconate semialdehyde hemiacetal
CID 440647
5-(4-Hydroxybut-2-enylidene)-3-(3-hydroxyprop-1-enyl)furan-2-one
CID 33275
(3S)-2-hydroxy-3-oxalooxycyclohexa-1,5-diene-1-carboxylic acid
CID 154496778
2-hydroxy-4-[(1E)-3-oxoprop-1-en-1-yl]-2H-pyran-6-carboxylate
CID 102514948

Frequently Asked Questions

What is the IUPAC name of 5-[(E)-3-hydroxyprop-1-enyl]-6-oxopyran-2-carboxylate?
The IUPAC name of 5-[(E)-3-hydroxyprop-1-enyl]-6-oxopyran-2-carboxylate (CID 102515144) is 5-[(E)-3-hydroxyprop-1-enyl]-6-oxopyran-2-carboxylate.
What is the SMILES notation for 5-[(E)-3-hydroxyprop-1-enyl]-6-oxopyran-2-carboxylate?
The canonical SMILES for 5-[(E)-3-hydroxyprop-1-enyl]-6-oxopyran-2-carboxylate is O=C([O-])c1ccc(/C=C/CO)c(=O)o1.
What is the InChIKey of 5-[(E)-3-hydroxyprop-1-enyl]-6-oxopyran-2-carboxylate?
The InChIKey is ZHVDMMGTPDSABS-OWOJBTEDSA-M. The full InChI is InChI=1S/C9H8O5/c10-5-1-2-6-3-4-7(8(11)12)14-9(6)13/h1-4,10H,5H2,(H,11,12)/p-1/b2-1+.
What are the key properties of 5-[(E)-3-hydroxyprop-1-enyl]-6-oxopyran-2-carboxylate?
5-[(E)-3-hydroxyprop-1-enyl]-6-oxopyran-2-carboxylate has a molecular weight of 195.15 g/mol, XLogP of -0.99, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-3-hydroxyprop-1-enyl]-6-oxopyran-2-carboxylate is sourced from PubChem (CID 102515144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).