2-[(1R)-5-methyl-2-nitrocyclohexa-2,4-dien-1-yl]furan

C11H11NO3 — CID 125484491

IUPAC2-[(1R)-5-methyl-2-nitrocyclohexa-2,4-dien-1-yl]furan
SMILESCC1=CC=C([N+](=O)[O-])[C@H](c2ccco2)C1
InChIInChI=1S/C11H11NO3/c1-8-4-5-10(12(13)14)9(7-8)11-3-2-6-15-11/h2-6,9H,7H2,1H3/t9-/m1/s1
InChIKeyVAOVHWJBUJALLN-SECBINFHSA-N
MW205.21 g/mol
LogP2.87
Rot. Bonds2

About 2-[(1R)-5-methyl-2-nitrocyclohexa-2,4-dien-1-yl]furan

2-[(1R)-5-methyl-2-nitrocyclohexa-2,4-dien-1-yl]furan (PubChem CID 125484491) has the molecular formula C11H11NO3 and a molecular weight of 205.21 g/mol. Its IUPAC name is 2-[(1R)-5-methyl-2-nitrocyclohexa-2,4-dien-1-yl]furan.

Molecular Properties

Compound Name2-[(1R)-5-methyl-2-nitrocyclohexa-2,4-dien-1-yl]furan
PubChem CID125484491
Molecular FormulaC11H11NO3
Molecular Weight205.21 g/mol
Exact Mass205.07
IUPAC Name2-[(1R)-5-methyl-2-nitrocyclohexa-2,4-dien-1-yl]furan
SMILESCC1=CC=C([N+](=O)[O-])[C@H](c2ccco2)C1
InChIInChI=1S/C11H11NO3/c1-8-4-5-10(12(13)14)9(7-8)11-3-2-6-15-11/h2-6,9H,7H2,1H3/t9-/m1/s1
InChIKeyVAOVHWJBUJALLN-SECBINFHSA-N
XLogP2.87
TPSA56.28 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 ≤ 52.87
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 2-[(1R)-5-methyl-2-nitrocyclohexa-2,4-dien-1-yl]furan?
The IUPAC name of 2-[(1R)-5-methyl-2-nitrocyclohexa-2,4-dien-1-yl]furan (CID 125484491) is 2-[(1R)-5-methyl-2-nitrocyclohexa-2,4-dien-1-yl]furan.
What is the SMILES notation for 2-[(1R)-5-methyl-2-nitrocyclohexa-2,4-dien-1-yl]furan?
The canonical SMILES for 2-[(1R)-5-methyl-2-nitrocyclohexa-2,4-dien-1-yl]furan is CC1=CC=C([N+](=O)[O-])[C@H](c2ccco2)C1.
What is the InChIKey of 2-[(1R)-5-methyl-2-nitrocyclohexa-2,4-dien-1-yl]furan?
The InChIKey is VAOVHWJBUJALLN-SECBINFHSA-N. The full InChI is InChI=1S/C11H11NO3/c1-8-4-5-10(12(13)14)9(7-8)11-3-2-6-15-11/h2-6,9H,7H2,1H3/t9-/m1/s1.
What are the key properties of 2-[(1R)-5-methyl-2-nitrocyclohexa-2,4-dien-1-yl]furan?
2-[(1R)-5-methyl-2-nitrocyclohexa-2,4-dien-1-yl]furan has a molecular weight of 205.21 g/mol, XLogP of 2.87, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-5-methyl-2-nitrocyclohexa-2,4-dien-1-yl]furan is sourced from PubChem (CID 125484491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).