(1S,4R)-3-ethenylidene-2,2-dimethylbicyclo[2.2.1]heptane

C11H16 — CID 11105521

IUPAC(1S,4R)-3-ethenylidene-2,2-dimethylbicyclo[2.2.1]heptane
SMILESC=C=C1[C@@H]2CC[C@@H](C2)C1(C)C
InChIInChI=1S/C11H16/c1-4-10-8-5-6-9(7-8)11(10,2)3/h8-9H,1,5-7H2,2-3H3/t8-,9+/m1/s1
InChIKeyXGGBXPVDLOVYSK-BDAKNGLRSA-N
MW148.25 g/mol
LogP3.15
Rot. Bonds

About (1S,4R)-3-ethenylidene-2,2-dimethylbicyclo[2.2.1]heptane

(1S,4R)-3-ethenylidene-2,2-dimethylbicyclo[2.2.1]heptane (PubChem CID 11105521) has the molecular formula C11H16 and a molecular weight of 148.25 g/mol. Its IUPAC name is (1S,4R)-3-ethenylidene-2,2-dimethylbicyclo[2.2.1]heptane.

Molecular Properties

Compound Name(1S,4R)-3-ethenylidene-2,2-dimethylbicyclo[2.2.1]heptane
PubChem CID11105521
Molecular FormulaC11H16
Molecular Weight148.25 g/mol
Exact Mass148.13
IUPAC Name(1S,4R)-3-ethenylidene-2,2-dimethylbicyclo[2.2.1]heptane
SMILESC=C=C1[C@@H]2CC[C@@H](C2)C1(C)C
InChIInChI=1S/C11H16/c1-4-10-8-5-6-9(7-8)11(10,2)3/h8-9H,1,5-7H2,2-3H3/t8-,9+/m1/s1
InChIKeyXGGBXPVDLOVYSK-BDAKNGLRSA-N
XLogP3.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.25
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of (1S,4R)-3-ethenylidene-2,2-dimethylbicyclo[2.2.1]heptane?
The IUPAC name of (1S,4R)-3-ethenylidene-2,2-dimethylbicyclo[2.2.1]heptane (CID 11105521) is (1S,4R)-3-ethenylidene-2,2-dimethylbicyclo[2.2.1]heptane.
What is the SMILES notation for (1S,4R)-3-ethenylidene-2,2-dimethylbicyclo[2.2.1]heptane?
The canonical SMILES for (1S,4R)-3-ethenylidene-2,2-dimethylbicyclo[2.2.1]heptane is C=C=C1[C@@H]2CC[C@@H](C2)C1(C)C.
What is the InChIKey of (1S,4R)-3-ethenylidene-2,2-dimethylbicyclo[2.2.1]heptane?
The InChIKey is XGGBXPVDLOVYSK-BDAKNGLRSA-N. The full InChI is InChI=1S/C11H16/c1-4-10-8-5-6-9(7-8)11(10,2)3/h8-9H,1,5-7H2,2-3H3/t8-,9+/m1/s1.
What are the key properties of (1S,4R)-3-ethenylidene-2,2-dimethylbicyclo[2.2.1]heptane?
(1S,4R)-3-ethenylidene-2,2-dimethylbicyclo[2.2.1]heptane has a molecular weight of 148.25 g/mol, XLogP of 3.15, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,4R)-3-ethenylidene-2,2-dimethylbicyclo[2.2.1]heptane is sourced from PubChem (CID 11105521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).