5-nitro-2-propyl-1H-indole

C11H12N2O2 — CID 12026883

IUPAC5-nitro-2-propyl-1H-indole
SMILESCCCc1cc2cc([N+](=O)[O-])ccc2[nH]1
InChIInChI=1S/C11H12N2O2/c1-2-3-9-6-8-7-10(13(14)15)4-5-11(8)12-9/h4-7,12H,2-3H2,1H3
InChIKeyOBGFIOQZOFKHJX-UHFFFAOYSA-N
MW204.23 g/mol
LogP3.03
Rot. Bonds3

About 5-nitro-2-propyl-1H-indole

5-nitro-2-propyl-1H-indole (PubChem CID 12026883) has the molecular formula C11H12N2O2 and a molecular weight of 204.23 g/mol. Its IUPAC name is 5-nitro-2-propyl-1H-indole.

Molecular Properties

Compound Name5-nitro-2-propyl-1H-indole
PubChem CID12026883
Molecular FormulaC11H12N2O2
Molecular Weight204.23 g/mol
Exact Mass204.09
IUPAC Name5-nitro-2-propyl-1H-indole
SMILESCCCc1cc2cc([N+](=O)[O-])ccc2[nH]1
InChIInChI=1S/C11H12N2O2/c1-2-3-9-6-8-7-10(13(14)15)4-5-11(8)12-9/h4-7,12H,2-3H2,1H3
InChIKeyOBGFIOQZOFKHJX-UHFFFAOYSA-N
XLogP3.03
TPSA58.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 5-nitro-2-propyl-1H-indole?
The IUPAC name of 5-nitro-2-propyl-1H-indole (CID 12026883) is 5-nitro-2-propyl-1H-indole.
What is the SMILES notation for 5-nitro-2-propyl-1H-indole?
The canonical SMILES for 5-nitro-2-propyl-1H-indole is CCCc1cc2cc([N+](=O)[O-])ccc2[nH]1.
What is the InChIKey of 5-nitro-2-propyl-1H-indole?
The InChIKey is OBGFIOQZOFKHJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2/c1-2-3-9-6-8-7-10(13(14)15)4-5-11(8)12-9/h4-7,12H,2-3H2,1H3.
What are the key properties of 5-nitro-2-propyl-1H-indole?
5-nitro-2-propyl-1H-indole has a molecular weight of 204.23 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitro-2-propyl-1H-indole is sourced from PubChem (CID 12026883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).