(1S,2Z,4R)-2-ethylidenebicyclo[2.2.1]heptane

C9H14 — CID 134995352

IUPAC(1S,2Z,4R)-2-ethylidenebicyclo[2.2.1]heptane
SMILESC/C=C1/C[C@@H]2CC[C@H]1C2
InChIInChI=1S/C9H14/c1-2-8-5-7-3-4-9(8)6-7/h2,7,9H,3-6H2,1H3/b8-2-/t7-,9-/m0/s1
InChIKeyJURLNXPXCMWCHE-GNZAQCEWSA-N
MW122.21 g/mol
LogP2.75
Rot. Bonds

About (1S,2Z,4R)-2-ethylidenebicyclo[2.2.1]heptane

(1S,2Z,4R)-2-ethylidenebicyclo[2.2.1]heptane (PubChem CID 134995352) has the molecular formula C9H14 and a molecular weight of 122.21 g/mol. Its IUPAC name is (1S,2Z,4R)-2-ethylidenebicyclo[2.2.1]heptane.

Molecular Properties

Compound Name(1S,2Z,4R)-2-ethylidenebicyclo[2.2.1]heptane
PubChem CID134995352
Molecular FormulaC9H14
Molecular Weight122.21 g/mol
Exact Mass122.11
IUPAC Name(1S,2Z,4R)-2-ethylidenebicyclo[2.2.1]heptane
SMILESC/C=C1/C[C@@H]2CC[C@H]1C2
InChIInChI=1S/C9H14/c1-2-8-5-7-3-4-9(8)6-7/h2,7,9H,3-6H2,1H3/b8-2-/t7-,9-/m0/s1
InChIKeyJURLNXPXCMWCHE-GNZAQCEWSA-N
XLogP2.75
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 ≤ 52.75
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 (1S,2Z,4R)-2-ethylidenebicyclo[2.2.1]heptane?
The IUPAC name of (1S,2Z,4R)-2-ethylidenebicyclo[2.2.1]heptane (CID 134995352) is (1S,2Z,4R)-2-ethylidenebicyclo[2.2.1]heptane.
What is the SMILES notation for (1S,2Z,4R)-2-ethylidenebicyclo[2.2.1]heptane?
The canonical SMILES for (1S,2Z,4R)-2-ethylidenebicyclo[2.2.1]heptane is C/C=C1/C[C@@H]2CC[C@H]1C2.
What is the InChIKey of (1S,2Z,4R)-2-ethylidenebicyclo[2.2.1]heptane?
The InChIKey is JURLNXPXCMWCHE-GNZAQCEWSA-N. The full InChI is InChI=1S/C9H14/c1-2-8-5-7-3-4-9(8)6-7/h2,7,9H,3-6H2,1H3/b8-2-/t7-,9-/m0/s1.
What are the key properties of (1S,2Z,4R)-2-ethylidenebicyclo[2.2.1]heptane?
(1S,2Z,4R)-2-ethylidenebicyclo[2.2.1]heptane has a molecular weight of 122.21 g/mol, XLogP of 2.75, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2Z,4R)-2-ethylidenebicyclo[2.2.1]heptane is sourced from PubChem (CID 134995352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).