2-prop-2-enylcyclopenta-2,4-diene-1-carboxylic acid

C9H10O2 — CID 101454997

IUPAC2-prop-2-enylcyclopenta-2,4-diene-1-carboxylic acid
SMILESC=CCC1=CC=CC1C(=O)O
InChIInChI=1S/C9H10O2/c1-2-4-7-5-3-6-8(7)9(10)11/h2-3,5-6,8H,1,4H2,(H,10,11)
InChIKeyLBNQHHOMRRJWKB-UHFFFAOYSA-N
MW150.18 g/mol
LogP1.76
Rot. Bonds3

About 2-prop-2-enylcyclopenta-2,4-diene-1-carboxylic acid

2-prop-2-enylcyclopenta-2,4-diene-1-carboxylic acid (PubChem CID 101454997) has the molecular formula C9H10O2 and a molecular weight of 150.18 g/mol. Its IUPAC name is 2-prop-2-enylcyclopenta-2,4-diene-1-carboxylic acid.

Molecular Properties

Compound Name2-prop-2-enylcyclopenta-2,4-diene-1-carboxylic acid
PubChem CID101454997
Molecular FormulaC9H10O2
Molecular Weight150.18 g/mol
Exact Mass150.07
IUPAC Name2-prop-2-enylcyclopenta-2,4-diene-1-carboxylic acid
SMILESC=CCC1=CC=CC1C(=O)O
InChIInChI=1S/C9H10O2/c1-2-4-7-5-3-6-8(7)9(10)11/h2-3,5-6,8H,1,4H2,(H,10,11)
InChIKeyLBNQHHOMRRJWKB-UHFFFAOYSA-N
XLogP1.76
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.18
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(1S,2R)-3-prop-2-enylcyclohexa-3,5-diene-1,2-diol
CID 10582954
2-hydroxycyclopenta-2,4-diene-1-carboxylic acid
CID 174889379
2-oxalocyclopenta-2,4-diene-1-carboxylic acid
CID 146361988
1,3-bis(prop-2-enyl)cyclohexa-3,5-diene-1,2-dicarboxylic acid;propane-1,2,3-triol
CID 175918031
2-fluoroacetic acid;prop-2-enylbenzene
CID 174702554
1-(2-methylcyclopenta-2,4-dien-1-yl)prop-2-en-1-one
CID 22003282
1H-benzo[7]annulene-1-carboxylic acid
CID 140604884
4-(5-ethenylcyclohepta-1,3,6-trien-1-yl)butanoic acid
CID 123503641
2-methyl-2-prop-2-enylcyclohexa-3,5-diene-1,3-dicarboxylic acid
CID 174869772
3,4-bis(prop-2-enyl)-4-sulfocyclohexa-2,5-diene-1,2-dicarboxylic acid
CID 87087135
2-prop-2-enylbenzoic acid
CID 2752991
6-oxocyclohexa-2,4-diene-1-carboxylic acid
CID 53400811

Frequently Asked Questions

What is the IUPAC name of 2-prop-2-enylcyclopenta-2,4-diene-1-carboxylic acid?
The IUPAC name of 2-prop-2-enylcyclopenta-2,4-diene-1-carboxylic acid (CID 101454997) is 2-prop-2-enylcyclopenta-2,4-diene-1-carboxylic acid.
What is the SMILES notation for 2-prop-2-enylcyclopenta-2,4-diene-1-carboxylic acid?
The canonical SMILES for 2-prop-2-enylcyclopenta-2,4-diene-1-carboxylic acid is C=CCC1=CC=CC1C(=O)O.
What is the InChIKey of 2-prop-2-enylcyclopenta-2,4-diene-1-carboxylic acid?
The InChIKey is LBNQHHOMRRJWKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O2/c1-2-4-7-5-3-6-8(7)9(10)11/h2-3,5-6,8H,1,4H2,(H,10,11).
What are the key properties of 2-prop-2-enylcyclopenta-2,4-diene-1-carboxylic acid?
2-prop-2-enylcyclopenta-2,4-diene-1-carboxylic acid has a molecular weight of 150.18 g/mol, XLogP of 1.76, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-prop-2-enylcyclopenta-2,4-diene-1-carboxylic acid is sourced from PubChem (CID 101454997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).