5-isocyano-2-methyl-2,3-dihydro-1-benzofuran

C10H9NO — CID 83480135

IUPAC5-isocyano-2-methyl-2,3-dihydro-1-benzofuran
SMILES[C-]#[N+]c1ccc2c(c1)CC(C)O2
InChIInChI=1S/C10H9NO/c1-7-5-8-6-9(11-2)3-4-10(8)12-7/h3-4,6-7H,5H2,1H3
InChIKeySZWARFXONPMPCW-UHFFFAOYSA-N
MW159.19 g/mol
LogP2.56
Rot. Bonds

About 5-isocyano-2-methyl-2,3-dihydro-1-benzofuran

5-isocyano-2-methyl-2,3-dihydro-1-benzofuran (PubChem CID 83480135) has the molecular formula C10H9NO and a molecular weight of 159.19 g/mol. Its IUPAC name is 5-isocyano-2-methyl-2,3-dihydro-1-benzofuran.

Molecular Properties

Compound Name5-isocyano-2-methyl-2,3-dihydro-1-benzofuran
PubChem CID83480135
Molecular FormulaC10H9NO
Molecular Weight159.19 g/mol
Exact Mass159.07
IUPAC Name5-isocyano-2-methyl-2,3-dihydro-1-benzofuran
SMILES[C-]#[N+]c1ccc2c(c1)CC(C)O2
InChIInChI=1S/C10H9NO/c1-7-5-8-6-9(11-2)3-4-10(8)12-7/h3-4,6-7H,5H2,1H3
InChIKeySZWARFXONPMPCW-UHFFFAOYSA-N
XLogP2.56
TPSA13.59 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.19
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 5-isocyano-2-methyl-2,3-dihydro-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

5-bromo-2-methyl-2,3-dihydro-1-benzofuran
CID 13301601
(2S)-5-bromo-2-methyl-2,3-dihydro-1-benzofuran
CID 93279299
(2R)-5-iodo-2-methyl-2,3-dihydro-1-benzofuran
CID 176929787
trifluoro-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)boranuide
CID 63677632
cyclopropane;2,5-dimethyl-2,3-dihydro-1-benzofuran;ethane
CID 145338226
2,5-dimethyl-2,3-dihydro-1-benzofuran;ethane;propane
CID 145338242
6-methyl-2-propan-2-yl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran
CID 70811025
5-[bromo-(2-methylcyclopropyl)methyl]-2-methyl-2,3-dihydro-1-benzofuran
CID 61096385
2-methyl-2,3-dihydro-1-benzofuran-5-sulfonyl fluoride
CID 165460112
(2S)-2-methyl-2,3-dihydro-1-benzofuran
CID 7359194
(2S)-2-methyl-2,3-dihydro-1-benzofuran-5-carboxylate
CID 7106477
1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)cyclopropan-1-amine
CID 82404450

Frequently Asked Questions

What is the IUPAC name of 5-isocyano-2-methyl-2,3-dihydro-1-benzofuran?
The IUPAC name of 5-isocyano-2-methyl-2,3-dihydro-1-benzofuran (CID 83480135) is 5-isocyano-2-methyl-2,3-dihydro-1-benzofuran.
What is the SMILES notation for 5-isocyano-2-methyl-2,3-dihydro-1-benzofuran?
The canonical SMILES for 5-isocyano-2-methyl-2,3-dihydro-1-benzofuran is [C-]#[N+]c1ccc2c(c1)CC(C)O2.
What is the InChIKey of 5-isocyano-2-methyl-2,3-dihydro-1-benzofuran?
The InChIKey is SZWARFXONPMPCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO/c1-7-5-8-6-9(11-2)3-4-10(8)12-7/h3-4,6-7H,5H2,1H3.
What are the key properties of 5-isocyano-2-methyl-2,3-dihydro-1-benzofuran?
5-isocyano-2-methyl-2,3-dihydro-1-benzofuran has a molecular weight of 159.19 g/mol, XLogP of 2.56, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-isocyano-2-methyl-2,3-dihydro-1-benzofuran is sourced from PubChem (CID 83480135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).