7-methylbicyclo[2.2.1]hept-2-ene-1,4-dicarboxylic acid

C10H12O4 — CID 139638376

IUPAC7-methylbicyclo[2.2.1]hept-2-ene-1,4-dicarboxylic acid
SMILESCC1C2(C(=O)O)C=CC1(C(=O)O)CC2
InChIInChI=1S/C10H12O4/c1-6-9(7(11)12)2-3-10(6,5-4-9)8(13)14/h2-3,6H,4-5H2,1H3,(H,11,12)(H,13,14)
InChIKeyFPYLUZFSLRDGBT-UHFFFAOYSA-N
MW196.20 g/mol
LogP1.13
Rot. Bonds2

About 7-methylbicyclo[2.2.1]hept-2-ene-1,4-dicarboxylic acid

7-methylbicyclo[2.2.1]hept-2-ene-1,4-dicarboxylic acid (PubChem CID 139638376) has the molecular formula C10H12O4 and a molecular weight of 196.20 g/mol. Its IUPAC name is 7-methylbicyclo[2.2.1]hept-2-ene-1,4-dicarboxylic acid.

Molecular Properties

Compound Name7-methylbicyclo[2.2.1]hept-2-ene-1,4-dicarboxylic acid
PubChem CID139638376
Molecular FormulaC10H12O4
Molecular Weight196.20 g/mol
Exact Mass196.07
IUPAC Name7-methylbicyclo[2.2.1]hept-2-ene-1,4-dicarboxylic acid
SMILESCC1C2(C(=O)O)C=CC1(C(=O)O)CC2
InChIInChI=1S/C10H12O4/c1-6-9(7(11)12)2-3-10(6,5-4-9)8(13)14/h2-3,6H,4-5H2,1H3,(H,11,12)(H,13,14)
InChIKeyFPYLUZFSLRDGBT-UHFFFAOYSA-N
XLogP1.13
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.20
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-tert-butylcyclopropane-1-carboxylic acid
CID 55301234
1,4,7-trimethylbicyclo[2.2.1]hept-2-ene
CID 123899625
(1R)-1,2-dimethylcyclopropane-1-carboxylic acid
CID 69400955
bicyclo[2.2.2]oct-5-ene-1,2-dicarboxylic acid
CID 13419746
bicyclo[2.2.1]hept-2-ene-1-carboxylic acid;trimethylsilane
CID 173193263
(1R,2R,4aR,6aR,6aR,6bR,10S,12aR,14aR,14bR)-2,10-dihydroxy-1,2,6a,6b,9,9,12a-heptamethyl-1,5,6,6a,7,8,8a,10,11,12,13,14,14a,14b-tetradecahydropicene-4a-carboxylic acid
CID 91036816
1,3-dimethylcyclobutane-1,3-dicarboxylic acid
CID 13026828
1,4-dimethylcyclohexa-2,5-diene-1,4-dicarboxylic acid
CID 22340681
1-bromo-4-methylcyclohexane-1-carboxylic acid
CID 139659784
4-chloro-1-methylcyclohex-2-ene-1-carboxylic acid
CID 12625643
(1R,4S,6S)-6-hydroxybicyclo[2.2.1]hept-2-ene-1-carboxylic acid
CID 130847459
1-hydroxy-2,5-dimethylcyclopentane-1-carboxylic acid
CID 83905293

Frequently Asked Questions

What is the IUPAC name of 7-methylbicyclo[2.2.1]hept-2-ene-1,4-dicarboxylic acid?
The IUPAC name of 7-methylbicyclo[2.2.1]hept-2-ene-1,4-dicarboxylic acid (CID 139638376) is 7-methylbicyclo[2.2.1]hept-2-ene-1,4-dicarboxylic acid.
What is the SMILES notation for 7-methylbicyclo[2.2.1]hept-2-ene-1,4-dicarboxylic acid?
The canonical SMILES for 7-methylbicyclo[2.2.1]hept-2-ene-1,4-dicarboxylic acid is CC1C2(C(=O)O)C=CC1(C(=O)O)CC2.
What is the InChIKey of 7-methylbicyclo[2.2.1]hept-2-ene-1,4-dicarboxylic acid?
The InChIKey is FPYLUZFSLRDGBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O4/c1-6-9(7(11)12)2-3-10(6,5-4-9)8(13)14/h2-3,6H,4-5H2,1H3,(H,11,12)(H,13,14).
What are the key properties of 7-methylbicyclo[2.2.1]hept-2-ene-1,4-dicarboxylic acid?
7-methylbicyclo[2.2.1]hept-2-ene-1,4-dicarboxylic acid has a molecular weight of 196.20 g/mol, XLogP of 1.13, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methylbicyclo[2.2.1]hept-2-ene-1,4-dicarboxylic acid is sourced from PubChem (CID 139638376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).