(2E,3aR,6aR)-2-(bromomethylidene)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan

C8H11BrO — CID 134981021

IUPAC(2E,3aR,6aR)-2-(bromomethylidene)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan
SMILESBr/C=C1\C[C@H]2CCC[C@H]2O1
InChIInChI=1S/C8H11BrO/c9-5-7-4-6-2-1-3-8(6)10-7/h5-6,8H,1-4H2/b7-5+/t6-,8-/m1/s1
InChIKeyMEHMZCKROLKTQQ-BNJXCVJPSA-N
MW203.08 g/mol
LogP2.81
Rot. Bonds

About (2E,3aR,6aR)-2-(bromomethylidene)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan

(2E,3aR,6aR)-2-(bromomethylidene)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan (PubChem CID 134981021) has the molecular formula C8H11BrO and a molecular weight of 203.08 g/mol. Its IUPAC name is (2E,3aR,6aR)-2-(bromomethylidene)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan.

Molecular Properties

Compound Name(2E,3aR,6aR)-2-(bromomethylidene)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan
PubChem CID134981021
Molecular FormulaC8H11BrO
Molecular Weight203.08 g/mol
Exact Mass202.00
IUPAC Name(2E,3aR,6aR)-2-(bromomethylidene)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan
SMILESBr/C=C1\C[C@H]2CCC[C@H]2O1
InChIInChI=1S/C8H11BrO/c9-5-7-4-6-2-1-3-8(6)10-7/h5-6,8H,1-4H2/b7-5+/t6-,8-/m1/s1
InChIKeyMEHMZCKROLKTQQ-BNJXCVJPSA-N
XLogP2.81
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.08
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2E,3aR,6aR)-2-(bromomethylidene)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan?
The IUPAC name of (2E,3aR,6aR)-2-(bromomethylidene)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan (CID 134981021) is (2E,3aR,6aR)-2-(bromomethylidene)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan.
What is the SMILES notation for (2E,3aR,6aR)-2-(bromomethylidene)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan?
The canonical SMILES for (2E,3aR,6aR)-2-(bromomethylidene)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan is Br/C=C1\C[C@H]2CCC[C@H]2O1.
What is the InChIKey of (2E,3aR,6aR)-2-(bromomethylidene)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan?
The InChIKey is MEHMZCKROLKTQQ-BNJXCVJPSA-N. The full InChI is InChI=1S/C8H11BrO/c9-5-7-4-6-2-1-3-8(6)10-7/h5-6,8H,1-4H2/b7-5+/t6-,8-/m1/s1.
What are the key properties of (2E,3aR,6aR)-2-(bromomethylidene)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan?
(2E,3aR,6aR)-2-(bromomethylidene)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan has a molecular weight of 203.08 g/mol, XLogP of 2.81, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,3aR,6aR)-2-(bromomethylidene)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan is sourced from PubChem (CID 134981021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).