2-methanidylidene-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan

C8H11O- — CID 90997735

IUPAC2-methanidylidene-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan
SMILES[H]/[C-]=C1/CC2CCCC2O1
InChIInChI=1S/C8H11O/c1-6-5-7-3-2-4-8(7)9-6/h1,7-8H,2-5H2/q-1
InChIKeyBHEKUAOMADYMLH-UHFFFAOYSA-N
MW123.17 g/mol
LogP1.89
Rot. Bonds

About 2-methanidylidene-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan

2-methanidylidene-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan (PubChem CID 90997735) has the molecular formula C8H11O- and a molecular weight of 123.17 g/mol. Its IUPAC name is 2-methanidylidene-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan.

Molecular Properties

Compound Name2-methanidylidene-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan
PubChem CID90997735
Molecular FormulaC8H11O-
Molecular Weight123.17 g/mol
Exact Mass123.08
IUPAC Name2-methanidylidene-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan
SMILES[H]/[C-]=C1/CC2CCCC2O1
InChIInChI=1S/C8H11O/c1-6-5-7-3-2-4-8(7)9-6/h1,7-8H,2-5H2/q-1
InChIKeyBHEKUAOMADYMLH-UHFFFAOYSA-N
XLogP1.89
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.17
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methanidylidene-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan?
The IUPAC name of 2-methanidylidene-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan (CID 90997735) is 2-methanidylidene-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan.
What is the SMILES notation for 2-methanidylidene-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan?
The canonical SMILES for 2-methanidylidene-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan is [H]/[C-]=C1/CC2CCCC2O1.
What is the InChIKey of 2-methanidylidene-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan?
The InChIKey is BHEKUAOMADYMLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11O/c1-6-5-7-3-2-4-8(7)9-6/h1,7-8H,2-5H2/q-1.
What are the key properties of 2-methanidylidene-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan?
2-methanidylidene-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan has a molecular weight of 123.17 g/mol, XLogP of 1.89, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methanidylidene-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan is sourced from PubChem (CID 90997735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).