2-[(E)-2-(5-methylidenespiro[2.3]hexan-2-yl)ethenyl]furan

C13H14O — CID 166442666

IUPAC2-[(E)-2-(5-methylidenespiro[2.3]hexan-2-yl)ethenyl]furan
SMILESC=C1CC2(C1)CC2/C=C/c1ccco1
InChIInChI=1S/C13H14O/c1-10-7-13(8-10)9-11(13)4-5-12-3-2-6-14-12/h2-6,11H,1,7-9H2/b5-4+
InChIKeyNKRYOBVMZAWBTP-SNAWJCMRSA-N
MW186.25 g/mol
LogP3.65
Rot. Bonds2

About 2-[(E)-2-(5-methylidenespiro[2.3]hexan-2-yl)ethenyl]furan

2-[(E)-2-(5-methylidenespiro[2.3]hexan-2-yl)ethenyl]furan (PubChem CID 166442666) has the molecular formula C13H14O and a molecular weight of 186.25 g/mol. Its IUPAC name is 2-[(E)-2-(5-methylidenespiro[2.3]hexan-2-yl)ethenyl]furan.

Molecular Properties

Compound Name2-[(E)-2-(5-methylidenespiro[2.3]hexan-2-yl)ethenyl]furan
PubChem CID166442666
Molecular FormulaC13H14O
Molecular Weight186.25 g/mol
Exact Mass186.10
IUPAC Name2-[(E)-2-(5-methylidenespiro[2.3]hexan-2-yl)ethenyl]furan
SMILESC=C1CC2(C1)CC2/C=C/c1ccco1
InChIInChI=1S/C13H14O/c1-10-7-13(8-10)9-11(13)4-5-12-3-2-6-14-12/h2-6,11H,1,7-9H2/b5-4+
InChIKeyNKRYOBVMZAWBTP-SNAWJCMRSA-N
XLogP3.65
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 2-[(E)-2-(5-methylidenespiro[2.3]hexan-2-yl)ethenyl]furan?
The IUPAC name of 2-[(E)-2-(5-methylidenespiro[2.3]hexan-2-yl)ethenyl]furan (CID 166442666) is 2-[(E)-2-(5-methylidenespiro[2.3]hexan-2-yl)ethenyl]furan.
What is the SMILES notation for 2-[(E)-2-(5-methylidenespiro[2.3]hexan-2-yl)ethenyl]furan?
The canonical SMILES for 2-[(E)-2-(5-methylidenespiro[2.3]hexan-2-yl)ethenyl]furan is C=C1CC2(C1)CC2/C=C/c1ccco1.
What is the InChIKey of 2-[(E)-2-(5-methylidenespiro[2.3]hexan-2-yl)ethenyl]furan?
The InChIKey is NKRYOBVMZAWBTP-SNAWJCMRSA-N. The full InChI is InChI=1S/C13H14O/c1-10-7-13(8-10)9-11(13)4-5-12-3-2-6-14-12/h2-6,11H,1,7-9H2/b5-4+.
What are the key properties of 2-[(E)-2-(5-methylidenespiro[2.3]hexan-2-yl)ethenyl]furan?
2-[(E)-2-(5-methylidenespiro[2.3]hexan-2-yl)ethenyl]furan has a molecular weight of 186.25 g/mol, XLogP of 3.65, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-(5-methylidenespiro[2.3]hexan-2-yl)ethenyl]furan is sourced from PubChem (CID 166442666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).