7-methylbicyclo[2.2.1]heptane-7-carboxylic acid

C9H14O2 — CID 58749444

IUPAC7-methylbicyclo[2.2.1]heptane-7-carboxylic acid
SMILESCC1(C(=O)O)C2CCC1CC2
InChIInChI=1S/C9H14O2/c1-9(8(10)11)6-2-3-7(9)5-4-6/h6-7H,2-5H2,1H3,(H,10,11)
InChIKeyQPICTPTYXYWKSP-UHFFFAOYSA-N
MW154.21 g/mol
LogP1.90
Rot. Bonds1

About 7-methylbicyclo[2.2.1]heptane-7-carboxylic acid

7-methylbicyclo[2.2.1]heptane-7-carboxylic acid (PubChem CID 58749444) has the molecular formula C9H14O2 and a molecular weight of 154.21 g/mol. Its IUPAC name is 7-methylbicyclo[2.2.1]heptane-7-carboxylic acid.

Molecular Properties

Compound Name7-methylbicyclo[2.2.1]heptane-7-carboxylic acid
PubChem CID58749444
Molecular FormulaC9H14O2
Molecular Weight154.21 g/mol
Exact Mass154.10
IUPAC Name7-methylbicyclo[2.2.1]heptane-7-carboxylic acid
SMILESCC1(C(=O)O)C2CCC1CC2
InChIInChI=1S/C9H14O2/c1-9(8(10)11)6-2-3-7(9)5-4-6/h6-7H,2-5H2,1H3,(H,10,11)
InChIKeyQPICTPTYXYWKSP-UHFFFAOYSA-N
XLogP1.90
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 7-methylbicyclo[2.2.1]heptane-7-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1S,2S,3S,4R)-2-methylbicyclo[2.2.1]heptane-2,3-dicarboxylic acid
CID 7096076
cis-(1R,2S)-2-cyclopropyl-2-methylcyclopropane-1-carboxylic acid
CID 915450
trans-(1S,2S)-2-cyclopropyl-2-methylcyclopropane-1-carboxylic acid
CID 915452
trans-(1R,2R)-2-bromo-1-methylcyclopropane-1-carboxylic acid
CID 6355513
bicyclo[3.1.0]hexane-1,2-dicarboxylic acid
CID 123996002
2-amino-5-methylbicyclo[2.1.1]hexane-2,5-dicarboxylic acid
CID 59948366
(1R,2S,3R,4S)-2-methyl-7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylic acid
CID 21155336
(1R)-1,2-dimethylcyclopropane-1-carboxylic acid
CID 69400955
3,6,6-trimethylbicyclo[3.1.1]heptane-3-carboxylic acid
CID 165386299
4-cyclopropyl-1-methylcyclohexane-1-carboxylic acid
CID 175206014
1-cyclopropylcyclopent-3-ene-1-carboxylic acid
CID 155943484
4-chloro-1-methylcyclohexane-1-carboxylic acid
CID 12547623

Frequently Asked Questions

What is the IUPAC name of 7-methylbicyclo[2.2.1]heptane-7-carboxylic acid?
The IUPAC name of 7-methylbicyclo[2.2.1]heptane-7-carboxylic acid (CID 58749444) is 7-methylbicyclo[2.2.1]heptane-7-carboxylic acid.
What is the SMILES notation for 7-methylbicyclo[2.2.1]heptane-7-carboxylic acid?
The canonical SMILES for 7-methylbicyclo[2.2.1]heptane-7-carboxylic acid is CC1(C(=O)O)C2CCC1CC2.
What is the InChIKey of 7-methylbicyclo[2.2.1]heptane-7-carboxylic acid?
The InChIKey is QPICTPTYXYWKSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O2/c1-9(8(10)11)6-2-3-7(9)5-4-6/h6-7H,2-5H2,1H3,(H,10,11).
What are the key properties of 7-methylbicyclo[2.2.1]heptane-7-carboxylic acid?
7-methylbicyclo[2.2.1]heptane-7-carboxylic acid has a molecular weight of 154.21 g/mol, XLogP of 1.90, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methylbicyclo[2.2.1]heptane-7-carboxylic acid is sourced from PubChem (CID 58749444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).