9-methyl-6-nitro-1,2,3,4-tetrahydrocarbazole

C13H14N2O2 — CID 738183

IUPAC9-methyl-6-nitro-1,2,3,4-tetrahydrocarbazole
SMILESCn1c2c(c3cc([N+](=O)[O-])ccc31)CCCC2
InChIInChI=1S/C13H14N2O2/c1-14-12-5-3-2-4-10(12)11-8-9(15(16)17)6-7-13(11)14/h6-8H,2-5H2,1H3
InChIKeyVORLTYMMXXXFAP-UHFFFAOYSA-N
MW230.27 g/mol
LogP2.97
Rot. Bonds1

About 9-methyl-6-nitro-1,2,3,4-tetrahydrocarbazole

9-methyl-6-nitro-1,2,3,4-tetrahydrocarbazole (PubChem CID 738183) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is 9-methyl-6-nitro-1,2,3,4-tetrahydrocarbazole.

Molecular Properties

Compound Name9-methyl-6-nitro-1,2,3,4-tetrahydrocarbazole
PubChem CID738183
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC Name9-methyl-6-nitro-1,2,3,4-tetrahydrocarbazole
SMILESCn1c2c(c3cc([N+](=O)[O-])ccc31)CCCC2
InChIInChI=1S/C13H14N2O2/c1-14-12-5-3-2-4-10(12)11-8-9(15(16)17)6-7-13(11)14/h6-8H,2-5H2,1H3
InChIKeyVORLTYMMXXXFAP-UHFFFAOYSA-N
XLogP2.97
TPSA48.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'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 9-methyl-6-nitro-1,2,3,4-tetrahydrocarbazole?
The IUPAC name of 9-methyl-6-nitro-1,2,3,4-tetrahydrocarbazole (CID 738183) is 9-methyl-6-nitro-1,2,3,4-tetrahydrocarbazole.
What is the SMILES notation for 9-methyl-6-nitro-1,2,3,4-tetrahydrocarbazole?
The canonical SMILES for 9-methyl-6-nitro-1,2,3,4-tetrahydrocarbazole is Cn1c2c(c3cc([N+](=O)[O-])ccc31)CCCC2.
What is the InChIKey of 9-methyl-6-nitro-1,2,3,4-tetrahydrocarbazole?
The InChIKey is VORLTYMMXXXFAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2/c1-14-12-5-3-2-4-10(12)11-8-9(15(16)17)6-7-13(11)14/h6-8H,2-5H2,1H3.
What are the key properties of 9-methyl-6-nitro-1,2,3,4-tetrahydrocarbazole?
9-methyl-6-nitro-1,2,3,4-tetrahydrocarbazole has a molecular weight of 230.27 g/mol, XLogP of 2.97, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-6-nitro-1,2,3,4-tetrahydrocarbazole is sourced from PubChem (CID 738183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).