(1R,4R)-7,7-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carboxylic acid

C11H16O2 — CID 134995170

IUPAC(1R,4R)-7,7-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carboxylic acid
SMILESC=C1C[C@H]2CC[C@]1(C(=O)O)C2(C)C
InChIInChI=1S/C11H16O2/c1-7-6-8-4-5-11(7,9(12)13)10(8,2)3/h8H,1,4-6H2,2-3H3,(H,12,13)/t8-,11+/m1/s1
InChIKeyJNNNANWXLANXCQ-KCJUWKMLSA-N
MW180.25 g/mol
LogP2.45
Rot. Bonds1

About (1R,4R)-7,7-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carboxylic acid

(1R,4R)-7,7-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carboxylic acid (PubChem CID 134995170) has the molecular formula C11H16O2 and a molecular weight of 180.25 g/mol. Its IUPAC name is (1R,4R)-7,7-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carboxylic acid.

Molecular Properties

Compound Name(1R,4R)-7,7-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carboxylic acid
PubChem CID134995170
Molecular FormulaC11H16O2
Molecular Weight180.25 g/mol
Exact Mass180.12
IUPAC Name(1R,4R)-7,7-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carboxylic acid
SMILESC=C1C[C@H]2CC[C@]1(C(=O)O)C2(C)C
InChIInChI=1S/C11H16O2/c1-7-6-8-4-5-11(7,9(12)13)10(8,2)3/h8H,1,4-6H2,2-3H3,(H,12,13)/t8-,11+/m1/s1
InChIKeyJNNNANWXLANXCQ-KCJUWKMLSA-N
XLogP2.45
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 52.45
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

(1R)-1,7,7-trimethyl-2-methylidenebicyclo[2.2.1]heptane
CID 162213995
(1S,4R)-7,7-dimethyl-N,2-dioxobicyclo[2.2.1]heptane-1-carboxamide
CID 102244184
N,7,7-trimethyl-2-oxobicyclo[2.2.1]heptane-1-carboxamide
CID 102547267
(1S,2Z,4S)-2-hydroxyimino-7,7-dimethylbicyclo[2.2.1]heptane-1-carboxylate
CID 23309790
potassium (2E)-2-hydroxyimino-7,7-dimethylbicyclo[2.2.1]heptane-1-carboxylate
CID 23670975
phenyl 7,7-dimethyl-2-oxobicyclo[2.2.1]heptane-1-carboxylate
CID 18834306
7,7-dimethyl-2-(pyridin-2-ylmethylimino)bicyclo[2.2.1]heptane-1-carboxylic acid
CID 134940270
(1S,4R)-7,7-dimethyl-2-(pyridin-2-ylmethylimino)bicyclo[2.2.1]heptane-1-carboxylic acid
CID 101431000
[1-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)-2-phenylethenyl]-trimethylazanium
CID 54524288
(1R,3R,4R)-3-[(1R,4R)-7,7-dimethyl-2-oxobicyclo[2.2.1]heptane-1-carbonyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one
CID 100974750
(1S,3S,4R)-3-bromo-7,7-dimethyl-2-oxobicyclo[2.2.1]heptane-1-carboxylic acid
CID 124528111
N-ethyl-7,7-dimethyl-2-oxo-N-phenylbicyclo[2.2.1]heptane-1-carboxamide
CID 18834295

Frequently Asked Questions

What is the IUPAC name of (1R,4R)-7,7-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carboxylic acid?
The IUPAC name of (1R,4R)-7,7-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carboxylic acid (CID 134995170) is (1R,4R)-7,7-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carboxylic acid.
What is the SMILES notation for (1R,4R)-7,7-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carboxylic acid?
The canonical SMILES for (1R,4R)-7,7-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carboxylic acid is C=C1C[C@H]2CC[C@]1(C(=O)O)C2(C)C.
What is the InChIKey of (1R,4R)-7,7-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carboxylic acid?
The InChIKey is JNNNANWXLANXCQ-KCJUWKMLSA-N. The full InChI is InChI=1S/C11H16O2/c1-7-6-8-4-5-11(7,9(12)13)10(8,2)3/h8H,1,4-6H2,2-3H3,(H,12,13)/t8-,11+/m1/s1.
What are the key properties of (1R,4R)-7,7-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carboxylic acid?
(1R,4R)-7,7-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carboxylic acid has a molecular weight of 180.25 g/mol, XLogP of 2.45, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4R)-7,7-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carboxylic acid is sourced from PubChem (CID 134995170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).