1-(3,4-dihydro-2H-chromen-6-yl)cyclopropane-1,2-dicarboxylic acid

C14H14O5 — CID 116858003

IUPAC1-(3,4-dihydro-2H-chromen-6-yl)cyclopropane-1,2-dicarboxylic acid
SMILESO=C(O)C1CC1(C(=O)O)c1ccc2c(c1)CCCO2
InChIInChI=1S/C14H14O5/c15-12(16)10-7-14(10,13(17)18)9-3-4-11-8(6-9)2-1-5-19-11/h3-4,6,10H,1-2,5,7H2,(H,15,16)(H,17,18)
InChIKeyTXEWUTMFPOUXDQ-UHFFFAOYSA-N
MW262.26 g/mol
LogP1.44
Rot. Bonds3

About 1-(3,4-dihydro-2H-chromen-6-yl)cyclopropane-1,2-dicarboxylic acid

1-(3,4-dihydro-2H-chromen-6-yl)cyclopropane-1,2-dicarboxylic acid (PubChem CID 116858003) has the molecular formula C14H14O5 and a molecular weight of 262.26 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-chromen-6-yl)cyclopropane-1,2-dicarboxylic acid.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-chromen-6-yl)cyclopropane-1,2-dicarboxylic acid
PubChem CID116858003
Molecular FormulaC14H14O5
Molecular Weight262.26 g/mol
Exact Mass262.08
IUPAC Name1-(3,4-dihydro-2H-chromen-6-yl)cyclopropane-1,2-dicarboxylic acid
SMILESO=C(O)C1CC1(C(=O)O)c1ccc2c(c1)CCCO2
InChIInChI=1S/C14H14O5/c15-12(16)10-7-14(10,13(17)18)9-3-4-11-8(6-9)2-1-5-19-11/h3-4,6,10H,1-2,5,7H2,(H,15,16)(H,17,18)
InChIKeyTXEWUTMFPOUXDQ-UHFFFAOYSA-N
XLogP1.44
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.26
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,3-dihydro-1-benzofuran-5-yl)cyclohexane-1-carboxylic acid
CID 117367919
N-(3,4-dihydro-2H-chromen-6-yl)carbamoyl bromide
CID 115193294
1-[amino(3,4-dihydro-2H-chromen-6-yl)methyl]cyclobutane-1-carboxylic acid
CID 116944092
2-[3-(3,4-dihydro-2H-chromen-6-yl)oxetan-3-yl]propanoic acid
CID 116872070
1-(3,4-dihydro-2H-chromen-6-yl)cyclobutane-1-carbohydrazide
CID 116844327
6-(2-methyloxiran-2-yl)-3,4-dihydro-2H-chromene
CID 82468795
2-amino-1-(3,4-dihydro-2H-chromen-6-yl)ethanone
CID 10352535
1-(3,4-dihydro-2H-chromen-6-yl)-N'-methylcyclopropane-1-carbohydrazide
CID 116847341
N-(3,4-dihydro-2H-chromen-6-yl)-2-sulfanylacetamide
CID 115166948
N-(3,4-dihydro-2H-chromen-6-yl)-2-hydroxypropanamide
CID 115140407
[1-(3,4-dihydro-2H-chromen-6-yl)cyclopropyl] formate
CID 59636910
N-(3,4-dihydro-2H-chromen-6-yl)pyridine-4-carboxamide
CID 110726182

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-chromen-6-yl)cyclopropane-1,2-dicarboxylic acid?
The IUPAC name of 1-(3,4-dihydro-2H-chromen-6-yl)cyclopropane-1,2-dicarboxylic acid (CID 116858003) is 1-(3,4-dihydro-2H-chromen-6-yl)cyclopropane-1,2-dicarboxylic acid.
What is the SMILES notation for 1-(3,4-dihydro-2H-chromen-6-yl)cyclopropane-1,2-dicarboxylic acid?
The canonical SMILES for 1-(3,4-dihydro-2H-chromen-6-yl)cyclopropane-1,2-dicarboxylic acid is O=C(O)C1CC1(C(=O)O)c1ccc2c(c1)CCCO2.
What is the InChIKey of 1-(3,4-dihydro-2H-chromen-6-yl)cyclopropane-1,2-dicarboxylic acid?
The InChIKey is TXEWUTMFPOUXDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O5/c15-12(16)10-7-14(10,13(17)18)9-3-4-11-8(6-9)2-1-5-19-11/h3-4,6,10H,1-2,5,7H2,(H,15,16)(H,17,18).
What are the key properties of 1-(3,4-dihydro-2H-chromen-6-yl)cyclopropane-1,2-dicarboxylic acid?
1-(3,4-dihydro-2H-chromen-6-yl)cyclopropane-1,2-dicarboxylic acid has a molecular weight of 262.26 g/mol, XLogP of 1.44, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-chromen-6-yl)cyclopropane-1,2-dicarboxylic acid is sourced from PubChem (CID 116858003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).