(8E)-8-(isocyanomethylidene)-1,2,6,7-tetrahydrocyclopenta[e][1]benzofuran

C13H11NO — CID 58409727

IUPAC(8E)-8-(isocyanomethylidene)-1,2,6,7-tetrahydrocyclopenta[e][1]benzofuran
SMILES[C-]#[N+]/C=C1\CCc2ccc3c(c21)CCO3
InChIInChI=1S/C13H11NO/c1-14-8-10-3-2-9-4-5-12-11(13(9)10)6-7-15-12/h4-5,8H,2-3,6-7H2/b10-8+
InChIKeyKAZUTOJFYPFXAV-CSKARUKUSA-N
MW197.24 g/mol
LogP2.83
Rot. Bonds

About (8E)-8-(isocyanomethylidene)-1,2,6,7-tetrahydrocyclopenta[e][1]benzofuran

(8E)-8-(isocyanomethylidene)-1,2,6,7-tetrahydrocyclopenta[e][1]benzofuran (PubChem CID 58409727) has the molecular formula C13H11NO and a molecular weight of 197.24 g/mol. Its IUPAC name is (8E)-8-(isocyanomethylidene)-1,2,6,7-tetrahydrocyclopenta[e][1]benzofuran.

Molecular Properties

Compound Name(8E)-8-(isocyanomethylidene)-1,2,6,7-tetrahydrocyclopenta[e][1]benzofuran
PubChem CID58409727
Molecular FormulaC13H11NO
Molecular Weight197.24 g/mol
Exact Mass197.08
IUPAC Name(8E)-8-(isocyanomethylidene)-1,2,6,7-tetrahydrocyclopenta[e][1]benzofuran
SMILES[C-]#[N+]/C=C1\CCc2ccc3c(c21)CCO3
InChIInChI=1S/C13H11NO/c1-14-8-10-3-2-9-4-5-12-11(13(9)10)6-7-15-12/h4-5,8H,2-3,6-7H2/b10-8+
InChIKeyKAZUTOJFYPFXAV-CSKARUKUSA-N
XLogP2.83
TPSA13.59 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (8E)-8-(isocyanomethylidene)-1,2,6,7-tetrahydrocyclopenta[e][1]benzofuran with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2E)-N-methyl-2-(1,2,6,7-tetrahydrocyclopenta[e][1]benzofuran-8-ylidene)ethanamine
CID 71141513
(2E)-2-(1,2,6,7-tetrahydrocyclopenta[e][1]benzofuran-8-ylidene)acetonitrile
CID 11830381
1-[2-(1,2,6,7-tetrahydrocyclopenta[e][1]benzofuran-8-ylidene)ethylamino]propan-1-ol
CID 123165241
8,22-dioxa-2-azaheptacyclo[14.10.0.03,14.04,12.05,9.018,26.021,25]hexacosa-1,3(14),4(12),5(9),10,15,18(26),19,21(25)-nonaene
CID 162691750
4,5-diphenyl-2,3-dihydro-1-benzofuran
CID 154231459
5-[(E)-1-isocyanoprop-1-en-2-yl]-2,3-dihydro-1-benzofuran
CID 59118271
(7E)-7-(thiophen-3-ylmethylidene)-2,6-dihydro-1H-cyclopenta[e][1]benzofuran-8-one
CID 53238637
5-(2-isocyanoethyl)-2,3-dihydro-1-benzofuran
CID 83481552
(2E)-2-[7-(cyclohexylmethyl)-1,2,6,7-tetrahydrocyclopenta[e][1]benzofuran-8-ylidene]ethanamine
CID 53238867
2,6,7,8-tetrahydro-1H-cyclopenta[e][1]benzofuran-8-carbaldehyde
CID 163948359
5-isocyano-2,3-dihydro-1-benzofuran
CID 83479252
1,2-dihydrobenzo[e][1]benzofuran;hydrate
CID 118007569

Frequently Asked Questions

What is the IUPAC name of (8E)-8-(isocyanomethylidene)-1,2,6,7-tetrahydrocyclopenta[e][1]benzofuran?
The IUPAC name of (8E)-8-(isocyanomethylidene)-1,2,6,7-tetrahydrocyclopenta[e][1]benzofuran (CID 58409727) is (8E)-8-(isocyanomethylidene)-1,2,6,7-tetrahydrocyclopenta[e][1]benzofuran.
What is the SMILES notation for (8E)-8-(isocyanomethylidene)-1,2,6,7-tetrahydrocyclopenta[e][1]benzofuran?
The canonical SMILES for (8E)-8-(isocyanomethylidene)-1,2,6,7-tetrahydrocyclopenta[e][1]benzofuran is [C-]#[N+]/C=C1\CCc2ccc3c(c21)CCO3.
What is the InChIKey of (8E)-8-(isocyanomethylidene)-1,2,6,7-tetrahydrocyclopenta[e][1]benzofuran?
The InChIKey is KAZUTOJFYPFXAV-CSKARUKUSA-N. The full InChI is InChI=1S/C13H11NO/c1-14-8-10-3-2-9-4-5-12-11(13(9)10)6-7-15-12/h4-5,8H,2-3,6-7H2/b10-8+.
What are the key properties of (8E)-8-(isocyanomethylidene)-1,2,6,7-tetrahydrocyclopenta[e][1]benzofuran?
(8E)-8-(isocyanomethylidene)-1,2,6,7-tetrahydrocyclopenta[e][1]benzofuran has a molecular weight of 197.24 g/mol, XLogP of 2.83, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (8E)-8-(isocyanomethylidene)-1,2,6,7-tetrahydrocyclopenta[e][1]benzofuran is sourced from PubChem (CID 58409727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).