2-(cyclopropylmethylidene)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan

C11H16O — CID 90950661

IUPAC2-(cyclopropylmethylidene)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan
SMILESC(=C1CC2CCCC2O1)C1CC1
InChIInChI=1S/C11H16O/c1-2-9-7-10(6-8-4-5-8)12-11(9)3-1/h6,8-9,11H,1-5,7H2
InChIKeyWJDHTIXKMIIZBJ-UHFFFAOYSA-N
MW164.25 g/mol
LogP2.87
Rot. Bonds1

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

2-(cyclopropylmethylidene)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan (PubChem CID 90950661) has the molecular formula C11H16O and a molecular weight of 164.25 g/mol. Its IUPAC name is 2-(cyclopropylmethylidene)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan.

Molecular Properties

Compound Name2-(cyclopropylmethylidene)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan
PubChem CID90950661
Molecular FormulaC11H16O
Molecular Weight164.25 g/mol
Exact Mass164.12
IUPAC Name2-(cyclopropylmethylidene)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan
SMILESC(=C1CC2CCCC2O1)C1CC1
InChIInChI=1S/C11H16O/c1-2-9-7-10(6-8-4-5-8)12-11(9)3-1/h6,8-9,11H,1-5,7H2
InChIKeyWJDHTIXKMIIZBJ-UHFFFAOYSA-N
XLogP2.87
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethylidene)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan?
The IUPAC name of 2-(cyclopropylmethylidene)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan (CID 90950661) is 2-(cyclopropylmethylidene)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan.
What is the SMILES notation for 2-(cyclopropylmethylidene)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan?
The canonical SMILES for 2-(cyclopropylmethylidene)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan is C(=C1CC2CCCC2O1)C1CC1.
What is the InChIKey of 2-(cyclopropylmethylidene)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan?
The InChIKey is WJDHTIXKMIIZBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O/c1-2-9-7-10(6-8-4-5-8)12-11(9)3-1/h6,8-9,11H,1-5,7H2.
What are the key properties of 2-(cyclopropylmethylidene)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan?
2-(cyclopropylmethylidene)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan has a molecular weight of 164.25 g/mol, XLogP of 2.87, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethylidene)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan is sourced from PubChem (CID 90950661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).