7-chloro-2-(isocyanomethyl)-1-benzofuran

C10H6ClNO — CID 83484072

IUPAC7-chloro-2-(isocyanomethyl)-1-benzofuran
SMILES[C-]#[N+]Cc1cc2cccc(Cl)c2o1
InChIInChI=1S/C10H6ClNO/c1-12-6-8-5-7-3-2-4-9(11)10(7)13-8/h2-5H,6H2
InChIKeyZMQJJTIZWNEQAF-UHFFFAOYSA-N
MW191.62 g/mol
LogP3.51
Rot. Bonds1

About 7-chloro-2-(isocyanomethyl)-1-benzofuran

7-chloro-2-(isocyanomethyl)-1-benzofuran (PubChem CID 83484072) has the molecular formula C10H6ClNO and a molecular weight of 191.62 g/mol. Its IUPAC name is 7-chloro-2-(isocyanomethyl)-1-benzofuran.

Molecular Properties

Compound Name7-chloro-2-(isocyanomethyl)-1-benzofuran
PubChem CID83484072
Molecular FormulaC10H6ClNO
Molecular Weight191.62 g/mol
Exact Mass191.01
IUPAC Name7-chloro-2-(isocyanomethyl)-1-benzofuran
SMILES[C-]#[N+]Cc1cc2cccc(Cl)c2o1
InChIInChI=1S/C10H6ClNO/c1-12-6-8-5-7-3-2-4-9(11)10(7)13-8/h2-5H,6H2
InChIKeyZMQJJTIZWNEQAF-UHFFFAOYSA-N
XLogP3.51
TPSA17.50 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.62
LogP ≤ 53.51
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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Related Compounds

(7-chloro-1-benzofuran-2-yl)methanamine
CID 65441087
3-(7-chloro-1-benzofuran-2-yl)propanal
CID 114733142
1-(7-chloro-1-benzofuran-2-yl)propan-2-amine
CID 114735430
1-[(7-chloro-1-benzofuran-2-yl)methyl]piperazine
CID 115004527
1-[(7-chloro-1-benzofuran-2-yl)methyl]azepane
CID 117182733
1-[2-(7-chloro-1-benzofuran-2-yl)ethyl]cyclopropan-1-amine
CID 105497156
7-chloro-1-benzofuran-2-sulfonamide
CID 114733064
7-chloro-1-benzofuran-2-sulfonyl chloride
CID 83900451
(7-chloro-1-benzofuran-2-yl)-(2,6-dichlorophenyl)methanamine
CID 105048440
2-(2-chloroethyl)-7-methyl-1-benzofuran
CID 114732789
1-(7-chloro-1-benzofuran-2-yl)-2,2-difluoroethanamine
CID 103517192
1-(7-chloro-1-benzofuran-2-yl)-3-methylpentan-1-ol
CID 115837469

Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-(isocyanomethyl)-1-benzofuran?
The IUPAC name of 7-chloro-2-(isocyanomethyl)-1-benzofuran (CID 83484072) is 7-chloro-2-(isocyanomethyl)-1-benzofuran.
What is the SMILES notation for 7-chloro-2-(isocyanomethyl)-1-benzofuran?
The canonical SMILES for 7-chloro-2-(isocyanomethyl)-1-benzofuran is [C-]#[N+]Cc1cc2cccc(Cl)c2o1.
What is the InChIKey of 7-chloro-2-(isocyanomethyl)-1-benzofuran?
The InChIKey is ZMQJJTIZWNEQAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6ClNO/c1-12-6-8-5-7-3-2-4-9(11)10(7)13-8/h2-5H,6H2.
What are the key properties of 7-chloro-2-(isocyanomethyl)-1-benzofuran?
7-chloro-2-(isocyanomethyl)-1-benzofuran has a molecular weight of 191.62 g/mol, XLogP of 3.51, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-(isocyanomethyl)-1-benzofuran is sourced from PubChem (CID 83484072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).