1-(nitrosomethyl)-1,3-dihydro-2-benzofuran

C9H9NO2 — CID 90959977

IUPAC1-(nitrosomethyl)-1,3-dihydro-2-benzofuran
SMILESO=NCC1OCc2ccccc21
InChIInChI=1S/C9H9NO2/c11-10-5-9-8-4-2-1-3-7(8)6-12-9/h1-4,9H,5-6H2
InChIKeyGXVRQUJHRNVHEM-UHFFFAOYSA-N
MW163.18 g/mol
LogP2.02
Rot. Bonds2

About 1-(nitrosomethyl)-1,3-dihydro-2-benzofuran

1-(nitrosomethyl)-1,3-dihydro-2-benzofuran (PubChem CID 90959977) has the molecular formula C9H9NO2 and a molecular weight of 163.18 g/mol. Its IUPAC name is 1-(nitrosomethyl)-1,3-dihydro-2-benzofuran.

Molecular Properties

Compound Name1-(nitrosomethyl)-1,3-dihydro-2-benzofuran
PubChem CID90959977
Molecular FormulaC9H9NO2
Molecular Weight163.18 g/mol
Exact Mass163.06
IUPAC Name1-(nitrosomethyl)-1,3-dihydro-2-benzofuran
SMILESO=NCC1OCc2ccccc21
InChIInChI=1S/C9H9NO2/c11-10-5-9-8-4-2-1-3-7(8)6-12-9/h1-4,9H,5-6H2
InChIKeyGXVRQUJHRNVHEM-UHFFFAOYSA-N
XLogP2.02
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.18
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(iodomethyl)-1,3-dihydro-2-benzofuran
CID 138756847
3-(1,3-dihydro-2-benzofuran-1-yl)propan-1-ol
CID 57246882
2-(nitrosomethyl)-2,3-dihydro-1H-indene
CID 142221573
1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran
CID 14230259
1-(2-fluorophenyl)-1,3-dihydro-2-benzofuran
CID 151716486
1-[(E)-non-3-enyl]-1,3-dihydro-2-benzofuran
CID 10729009
[(1R)-3,4-dihydro-1H-isochromen-1-yl]methanethiol
CID 129369937
3,4-dimethyl-3,4-dihydro-1H-isochromene
CID 12794873
1,3-dihydro-2-benzofuran-1-yl(trimethyl)silane
CID 85354149
4-(1,3-dihydro-2-benzofuran-1-yl)aniline
CID 70600489
N-methyl-1,3-dihydro-2-benzofuran-1-amine
CID 141076317
(3R,4R)-3,4-diphenyl-3,4-dihydro-1H-isochromene
CID 11119699

Frequently Asked Questions

What is the IUPAC name of 1-(nitrosomethyl)-1,3-dihydro-2-benzofuran?
The IUPAC name of 1-(nitrosomethyl)-1,3-dihydro-2-benzofuran (CID 90959977) is 1-(nitrosomethyl)-1,3-dihydro-2-benzofuran.
What is the SMILES notation for 1-(nitrosomethyl)-1,3-dihydro-2-benzofuran?
The canonical SMILES for 1-(nitrosomethyl)-1,3-dihydro-2-benzofuran is O=NCC1OCc2ccccc21.
What is the InChIKey of 1-(nitrosomethyl)-1,3-dihydro-2-benzofuran?
The InChIKey is GXVRQUJHRNVHEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO2/c11-10-5-9-8-4-2-1-3-7(8)6-12-9/h1-4,9H,5-6H2.
What are the key properties of 1-(nitrosomethyl)-1,3-dihydro-2-benzofuran?
1-(nitrosomethyl)-1,3-dihydro-2-benzofuran has a molecular weight of 163.18 g/mol, XLogP of 2.02, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(nitrosomethyl)-1,3-dihydro-2-benzofuran is sourced from PubChem (CID 90959977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).