(2R)-2-methyl-7-[(E)-2-nitroethenyl]-2,3-dihydro-1-benzofuran

C11H11NO3 — CID 7377834

IUPAC(2R)-2-methyl-7-[(E)-2-nitroethenyl]-2,3-dihydro-1-benzofuran
SMILESC[C@@H]1Cc2cccc(/C=C/[N+](=O)[O-])c2O1
InChIInChI=1S/C11H11NO3/c1-8-7-10-4-2-3-9(11(10)15-8)5-6-12(13)14/h2-6,8H,7H2,1H3/b6-5+/t8-/m1/s1
InChIKeyQMOOMHGHQYTCLO-HQZHTGGTSA-N
MW205.21 g/mol
LogP2.26
Rot. Bonds2

About (2R)-2-methyl-7-[(E)-2-nitroethenyl]-2,3-dihydro-1-benzofuran

(2R)-2-methyl-7-[(E)-2-nitroethenyl]-2,3-dihydro-1-benzofuran (PubChem CID 7377834) has the molecular formula C11H11NO3 and a molecular weight of 205.21 g/mol. Its IUPAC name is (2R)-2-methyl-7-[(E)-2-nitroethenyl]-2,3-dihydro-1-benzofuran.

Molecular Properties

Compound Name(2R)-2-methyl-7-[(E)-2-nitroethenyl]-2,3-dihydro-1-benzofuran
PubChem CID7377834
Molecular FormulaC11H11NO3
Molecular Weight205.21 g/mol
Exact Mass205.07
IUPAC Name(2R)-2-methyl-7-[(E)-2-nitroethenyl]-2,3-dihydro-1-benzofuran
SMILESC[C@@H]1Cc2cccc(/C=C/[N+](=O)[O-])c2O1
InChIInChI=1S/C11H11NO3/c1-8-7-10-4-2-3-9(11(10)15-8)5-6-12(13)14/h2-6,8H,7H2,1H3/b6-5+/t8-/m1/s1
InChIKeyQMOOMHGHQYTCLO-HQZHTGGTSA-N
XLogP2.26
TPSA52.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.21
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-methyl-7-[(E)-2-nitroethenyl]-2,3-dihydro-1-benzofuran?
The IUPAC name of (2R)-2-methyl-7-[(E)-2-nitroethenyl]-2,3-dihydro-1-benzofuran (CID 7377834) is (2R)-2-methyl-7-[(E)-2-nitroethenyl]-2,3-dihydro-1-benzofuran.
What is the SMILES notation for (2R)-2-methyl-7-[(E)-2-nitroethenyl]-2,3-dihydro-1-benzofuran?
The canonical SMILES for (2R)-2-methyl-7-[(E)-2-nitroethenyl]-2,3-dihydro-1-benzofuran is C[C@@H]1Cc2cccc(/C=C/[N+](=O)[O-])c2O1.
What is the InChIKey of (2R)-2-methyl-7-[(E)-2-nitroethenyl]-2,3-dihydro-1-benzofuran?
The InChIKey is QMOOMHGHQYTCLO-HQZHTGGTSA-N. The full InChI is InChI=1S/C11H11NO3/c1-8-7-10-4-2-3-9(11(10)15-8)5-6-12(13)14/h2-6,8H,7H2,1H3/b6-5+/t8-/m1/s1.
What are the key properties of (2R)-2-methyl-7-[(E)-2-nitroethenyl]-2,3-dihydro-1-benzofuran?
(2R)-2-methyl-7-[(E)-2-nitroethenyl]-2,3-dihydro-1-benzofuran has a molecular weight of 205.21 g/mol, XLogP of 2.26, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-methyl-7-[(E)-2-nitroethenyl]-2,3-dihydro-1-benzofuran is sourced from PubChem (CID 7377834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).