2,3,3-trimethyl-6-nitroindole

C11H12N2O2 — CID 20553389

IUPAC2,3,3-trimethyl-6-nitroindole
SMILESCC1=Nc2cc([N+](=O)[O-])ccc2C1(C)C
InChIInChI=1S/C11H12N2O2/c1-7-11(2,3)9-5-4-8(13(14)15)6-10(9)12-7/h4-6H,1-3H3
InChIKeyWEJDAPZSRQPETI-UHFFFAOYSA-N
MW204.23 g/mol
LogP2.98
Rot. Bonds1

About 2,3,3-trimethyl-6-nitroindole

2,3,3-trimethyl-6-nitroindole (PubChem CID 20553389) has the molecular formula C11H12N2O2 and a molecular weight of 204.23 g/mol. Its IUPAC name is 2,3,3-trimethyl-6-nitroindole.

Molecular Properties

Compound Name2,3,3-trimethyl-6-nitroindole
PubChem CID20553389
Molecular FormulaC11H12N2O2
Molecular Weight204.23 g/mol
Exact Mass204.09
IUPAC Name2,3,3-trimethyl-6-nitroindole
SMILESCC1=Nc2cc([N+](=O)[O-])ccc2C1(C)C
InChIInChI=1S/C11H12N2O2/c1-7-11(2,3)9-5-4-8(13(14)15)6-10(9)12-7/h4-6H,1-3H3
InChIKeyWEJDAPZSRQPETI-UHFFFAOYSA-N
XLogP2.98
TPSA55.50 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 52.98
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

2,3,3,7-tetramethyl-5-nitroindole
CID 20553403
1,2,3,3-tetramethyl-6-nitroindol-1-ium
CID 32641137
2-chloro-6-nitro-3H-indole
CID 125415200
1,2-dimethyl-4-nitrobenzene;ethane
CID 90784792
1,2,3,3-tetramethyl-5-nitroindol-1-ium bromide
CID 69115002
2-methyl-5-nitro-1H-indene
CID 160884843
1,8,15,22-tetramethyl-4,5,11,12,18-pentanitrohexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2,4,6,9,11,13,16(21),17,19-nonaene
CID 132566625
2,2-dimethyl-5-nitrobenzimidazole;hydrate
CID 16667415
1-ethyl-3,3-dimethyl-6-nitroindol-2-one
CID 69071675
9,9,10-trimethyl-2-nitroacridine
CID 53253608
3,3-dimethyl-6-nitro-2H-1,2-benzothiazole
CID 90885107
2,3,3-trimethyl-6-nitroisoindol-1-one
CID 58289918

Frequently Asked Questions

What is the IUPAC name of 2,3,3-trimethyl-6-nitroindole?
The IUPAC name of 2,3,3-trimethyl-6-nitroindole (CID 20553389) is 2,3,3-trimethyl-6-nitroindole.
What is the SMILES notation for 2,3,3-trimethyl-6-nitroindole?
The canonical SMILES for 2,3,3-trimethyl-6-nitroindole is CC1=Nc2cc([N+](=O)[O-])ccc2C1(C)C.
What is the InChIKey of 2,3,3-trimethyl-6-nitroindole?
The InChIKey is WEJDAPZSRQPETI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2/c1-7-11(2,3)9-5-4-8(13(14)15)6-10(9)12-7/h4-6H,1-3H3.
What are the key properties of 2,3,3-trimethyl-6-nitroindole?
2,3,3-trimethyl-6-nitroindole has a molecular weight of 204.23 g/mol, XLogP of 2.98, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3-trimethyl-6-nitroindole is sourced from PubChem (CID 20553389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).