4,7-dimethyl-6-nitro-2,3-dihydro-1-benzofuran

C10H11NO3 — CID 176615986

IUPAC4,7-dimethyl-6-nitro-2,3-dihydro-1-benzofuran
SMILESCc1cc([N+](=O)[O-])c(C)c2c1CCO2
InChIInChI=1S/C10H11NO3/c1-6-5-9(11(12)13)7(2)10-8(6)3-4-14-10/h5H,3-4H2,1-2H3
InChIKeyWLLBYTCMJAPZNP-UHFFFAOYSA-N
MW193.20 g/mol
LogP2.15
Rot. Bonds1

About 4,7-dimethyl-6-nitro-2,3-dihydro-1-benzofuran

4,7-dimethyl-6-nitro-2,3-dihydro-1-benzofuran (PubChem CID 176615986) has the molecular formula C10H11NO3 and a molecular weight of 193.20 g/mol. Its IUPAC name is 4,7-dimethyl-6-nitro-2,3-dihydro-1-benzofuran.

Molecular Properties

Compound Name4,7-dimethyl-6-nitro-2,3-dihydro-1-benzofuran
PubChem CID176615986
Molecular FormulaC10H11NO3
Molecular Weight193.20 g/mol
Exact Mass193.07
IUPAC Name4,7-dimethyl-6-nitro-2,3-dihydro-1-benzofuran
SMILESCc1cc([N+](=O)[O-])c(C)c2c1CCO2
InChIInChI=1S/C10H11NO3/c1-6-5-9(11(12)13)7(2)10-8(6)3-4-14-10/h5H,3-4H2,1-2H3
InChIKeyWLLBYTCMJAPZNP-UHFFFAOYSA-N
XLogP2.15
TPSA52.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.20
LogP ≤ 52.15
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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Related Compounds

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CID 22408512
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CID 25228199
5,8-dimethyl-6-nitro-2,3,4,9-tetrahydro-1H-carbazole
CID 10332067
2-methyl-1,3,5-trinitrobenzene
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6-chloro-8-nitro-2,3-dihydrochromen-4-one
CID 130038992
(2,3,6-trimethyl-4-nitrophenyl) acetate
CID 87545225
3,4-dimethyl-N-(2-morpholin-4-ylethyl)-5-nitrobenzenesulfonamide
CID 16644692
4-methyl-3,5-dinitroaniline
CID 29574
4-chloro-1,2,3-trimethyl-5-nitrobenzene
CID 162041077
1,2-dimethyl-4-nitro-5-propan-2-ylbenzene
CID 20588165
5-[2,2-dichloro-1-(3,4-dimethyl-5-nitrophenyl)ethenyl]-1,2-dimethyl-3-nitrobenzene
CID 4231789
6-methyl-4-nitro-2,3-dihydroinden-1-one
CID 20643039

Frequently Asked Questions

What is the IUPAC name of 4,7-dimethyl-6-nitro-2,3-dihydro-1-benzofuran?
The IUPAC name of 4,7-dimethyl-6-nitro-2,3-dihydro-1-benzofuran (CID 176615986) is 4,7-dimethyl-6-nitro-2,3-dihydro-1-benzofuran.
What is the SMILES notation for 4,7-dimethyl-6-nitro-2,3-dihydro-1-benzofuran?
The canonical SMILES for 4,7-dimethyl-6-nitro-2,3-dihydro-1-benzofuran is Cc1cc([N+](=O)[O-])c(C)c2c1CCO2.
What is the InChIKey of 4,7-dimethyl-6-nitro-2,3-dihydro-1-benzofuran?
The InChIKey is WLLBYTCMJAPZNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO3/c1-6-5-9(11(12)13)7(2)10-8(6)3-4-14-10/h5H,3-4H2,1-2H3.
What are the key properties of 4,7-dimethyl-6-nitro-2,3-dihydro-1-benzofuran?
4,7-dimethyl-6-nitro-2,3-dihydro-1-benzofuran has a molecular weight of 193.20 g/mol, XLogP of 2.15, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-dimethyl-6-nitro-2,3-dihydro-1-benzofuran is sourced from PubChem (CID 176615986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).