(1S,4S)-2,3-dimethylidenebicyclo[2.2.1]heptane

C9H12 — CID 50919081

IUPAC(1S,4S)-2,3-dimethylidenebicyclo[2.2.1]heptane
SMILESC=C1C(=C)[C@H]2CC[C@H]1C2
InChIInChI=1S/C9H12/c1-6-7(2)9-4-3-8(6)5-9/h8-9H,1-5H2/t8-,9-/m0/s1
InChIKeyGUBNJQWOCZEVSJ-IUCAKERBSA-N
MW120.19 g/mol
LogP2.53
Rot. Bonds

About (1S,4S)-2,3-dimethylidenebicyclo[2.2.1]heptane

(1S,4S)-2,3-dimethylidenebicyclo[2.2.1]heptane (PubChem CID 50919081) has the molecular formula C9H12 and a molecular weight of 120.19 g/mol. Its IUPAC name is (1S,4S)-2,3-dimethylidenebicyclo[2.2.1]heptane.

Molecular Properties

Compound Name(1S,4S)-2,3-dimethylidenebicyclo[2.2.1]heptane
PubChem CID50919081
Molecular FormulaC9H12
Molecular Weight120.19 g/mol
Exact Mass120.09
IUPAC Name(1S,4S)-2,3-dimethylidenebicyclo[2.2.1]heptane
SMILESC=C1C(=C)[C@H]2CC[C@H]1C2
InChIInChI=1S/C9H12/c1-6-7(2)9-4-3-8(6)5-9/h8-9H,1-5H2/t8-,9-/m0/s1
InChIKeyGUBNJQWOCZEVSJ-IUCAKERBSA-N
XLogP2.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.19
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of (1S,4S)-2,3-dimethylidenebicyclo[2.2.1]heptane?
The IUPAC name of (1S,4S)-2,3-dimethylidenebicyclo[2.2.1]heptane (CID 50919081) is (1S,4S)-2,3-dimethylidenebicyclo[2.2.1]heptane.
What is the SMILES notation for (1S,4S)-2,3-dimethylidenebicyclo[2.2.1]heptane?
The canonical SMILES for (1S,4S)-2,3-dimethylidenebicyclo[2.2.1]heptane is C=C1C(=C)[C@H]2CC[C@H]1C2.
What is the InChIKey of (1S,4S)-2,3-dimethylidenebicyclo[2.2.1]heptane?
The InChIKey is GUBNJQWOCZEVSJ-IUCAKERBSA-N. The full InChI is InChI=1S/C9H12/c1-6-7(2)9-4-3-8(6)5-9/h8-9H,1-5H2/t8-,9-/m0/s1.
What are the key properties of (1S,4S)-2,3-dimethylidenebicyclo[2.2.1]heptane?
(1S,4S)-2,3-dimethylidenebicyclo[2.2.1]heptane has a molecular weight of 120.19 g/mol, XLogP of 2.53, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,4S)-2,3-dimethylidenebicyclo[2.2.1]heptane is sourced from PubChem (CID 50919081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).