5-methylidenecyclopenta-1,3-diene-1-carboxylic acid

C7H6O2 — CID 53445254

IUPAC5-methylidenecyclopenta-1,3-diene-1-carboxylic acid
SMILESC=C1C=CC=C1C(=O)O
InChIInChI=1S/C7H6O2/c1-5-3-2-4-6(5)7(8)9/h2-4H,1H2,(H,8,9)
InChIKeyDULHUHYIIPIGHV-UHFFFAOYSA-N
MW122.12 g/mol
LogP1.12
Rot. Bonds1

About 5-methylidenecyclopenta-1,3-diene-1-carboxylic acid

5-methylidenecyclopenta-1,3-diene-1-carboxylic acid (PubChem CID 53445254) has the molecular formula C7H6O2 and a molecular weight of 122.12 g/mol. Its IUPAC name is 5-methylidenecyclopenta-1,3-diene-1-carboxylic acid.

Molecular Properties

Compound Name5-methylidenecyclopenta-1,3-diene-1-carboxylic acid
PubChem CID53445254
Molecular FormulaC7H6O2
Molecular Weight122.12 g/mol
Exact Mass122.04
IUPAC Name5-methylidenecyclopenta-1,3-diene-1-carboxylic acid
SMILESC=C1C=CC=C1C(=O)O
InChIInChI=1S/C7H6O2/c1-5-3-2-4-6(5)7(8)9/h2-4H,1H2,(H,8,9)
InChIKeyDULHUHYIIPIGHV-UHFFFAOYSA-N
XLogP1.12
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.12
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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(E)-2-[(Z)-prop-1-enyl]pent-2-enoic acid
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1,1'-Ferrocen-dicarbonsaure
CID 16211180
Buta-1,3-diene-1,2,4-tricarboxylic acid
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1,4-Cyclohexadiene-1-carboxylic acid
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Carboxyferrocene
CID 499634
1,5-Cyclohexadiene-1-carboxylic acid, 3,4-dioxo-
CID 156602
1-Carboxyl-3-fluoro-2,6-cyclohexadiene
CID 57080866
Cyclohepta-1,3,5-triene-1-carboxylic Acid
CID 10975540
(3E)-3-(fluoromethylidene)cyclopenta-1,4-diene-1-carboxylic acid
CID 139242658

Frequently Asked Questions

What is the IUPAC name of 5-methylidenecyclopenta-1,3-diene-1-carboxylic acid?
The IUPAC name of 5-methylidenecyclopenta-1,3-diene-1-carboxylic acid (CID 53445254) is 5-methylidenecyclopenta-1,3-diene-1-carboxylic acid.
What is the SMILES notation for 5-methylidenecyclopenta-1,3-diene-1-carboxylic acid?
The canonical SMILES for 5-methylidenecyclopenta-1,3-diene-1-carboxylic acid is C=C1C=CC=C1C(=O)O.
What is the InChIKey of 5-methylidenecyclopenta-1,3-diene-1-carboxylic acid?
The InChIKey is DULHUHYIIPIGHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6O2/c1-5-3-2-4-6(5)7(8)9/h2-4H,1H2,(H,8,9).
What are the key properties of 5-methylidenecyclopenta-1,3-diene-1-carboxylic acid?
5-methylidenecyclopenta-1,3-diene-1-carboxylic acid has a molecular weight of 122.12 g/mol, XLogP of 1.12, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylidenecyclopenta-1,3-diene-1-carboxylic acid is sourced from PubChem (CID 53445254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).