(2R)-2-methyl-3-methylidenebicyclo[2.2.1]heptane

C9H14 — CID 91747572

IUPAC(2R)-2-methyl-3-methylidenebicyclo[2.2.1]heptane
SMILESC=C1C2CCC(C2)[C@H]1C
InChIInChI=1S/C9H14/c1-6-7(2)9-4-3-8(6)5-9/h7-9H,1,3-5H2,2H3/t7-,8?,9?/m0/s1
InChIKeyZKASMXOELCEADR-UEJVZZJDSA-N
MW122.21 g/mol
LogP2.61
Rot. Bonds

About (2R)-2-methyl-3-methylidenebicyclo[2.2.1]heptane

(2R)-2-methyl-3-methylidenebicyclo[2.2.1]heptane (PubChem CID 91747572) has the molecular formula C9H14 and a molecular weight of 122.21 g/mol. Its IUPAC name is (2R)-2-methyl-3-methylidenebicyclo[2.2.1]heptane.

Molecular Properties

Compound Name(2R)-2-methyl-3-methylidenebicyclo[2.2.1]heptane
PubChem CID91747572
Molecular FormulaC9H14
Molecular Weight122.21 g/mol
Exact Mass122.11
IUPAC Name(2R)-2-methyl-3-methylidenebicyclo[2.2.1]heptane
SMILESC=C1C2CCC(C2)[C@H]1C
InChIInChI=1S/C9H14/c1-6-7(2)9-4-3-8(6)5-9/h7-9H,1,3-5H2,2H3/t7-,8?,9?/m0/s1
InChIKeyZKASMXOELCEADR-UEJVZZJDSA-N
XLogP2.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.21
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-methyl-3-methylidenebicyclo[2.2.1]heptane?
The IUPAC name of (2R)-2-methyl-3-methylidenebicyclo[2.2.1]heptane (CID 91747572) is (2R)-2-methyl-3-methylidenebicyclo[2.2.1]heptane.
What is the SMILES notation for (2R)-2-methyl-3-methylidenebicyclo[2.2.1]heptane?
The canonical SMILES for (2R)-2-methyl-3-methylidenebicyclo[2.2.1]heptane is C=C1C2CCC(C2)[C@H]1C.
What is the InChIKey of (2R)-2-methyl-3-methylidenebicyclo[2.2.1]heptane?
The InChIKey is ZKASMXOELCEADR-UEJVZZJDSA-N. The full InChI is InChI=1S/C9H14/c1-6-7(2)9-4-3-8(6)5-9/h7-9H,1,3-5H2,2H3/t7-,8?,9?/m0/s1.
What are the key properties of (2R)-2-methyl-3-methylidenebicyclo[2.2.1]heptane?
(2R)-2-methyl-3-methylidenebicyclo[2.2.1]heptane has a molecular weight of 122.21 g/mol, XLogP of 2.61, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-methyl-3-methylidenebicyclo[2.2.1]heptane is sourced from PubChem (CID 91747572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).