1-cyclopropyl-7-nitroindole

C11H10N2O2 — CID 134940898

IUPAC1-cyclopropyl-7-nitroindole
SMILESO=[N+]([O-])c1cccc2ccn(C3CC3)c12
InChIInChI=1S/C11H10N2O2/c14-13(15)10-3-1-2-8-6-7-12(11(8)10)9-4-5-9/h1-3,6-7,9H,4-5H2
InChIKeyPNAXKDRYIXSBKJ-UHFFFAOYSA-N
MW202.21 g/mol
LogP2.88
Rot. Bonds2

About 1-cyclopropyl-7-nitroindole

1-cyclopropyl-7-nitroindole (PubChem CID 134940898) has the molecular formula C11H10N2O2 and a molecular weight of 202.21 g/mol. Its IUPAC name is 1-cyclopropyl-7-nitroindole.

Molecular Properties

Compound Name1-cyclopropyl-7-nitroindole
PubChem CID134940898
Molecular FormulaC11H10N2O2
Molecular Weight202.21 g/mol
Exact Mass202.07
IUPAC Name1-cyclopropyl-7-nitroindole
SMILESO=[N+]([O-])c1cccc2ccn(C3CC3)c12
InChIInChI=1S/C11H10N2O2/c14-13(15)10-3-1-2-8-6-7-12(11(8)10)9-4-5-9/h1-3,6-7,9H,4-5H2
InChIKeyPNAXKDRYIXSBKJ-UHFFFAOYSA-N
XLogP2.88
TPSA48.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.21
LogP ≤ 52.88
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 1-cyclopropyl-7-nitroindole?
The IUPAC name of 1-cyclopropyl-7-nitroindole (CID 134940898) is 1-cyclopropyl-7-nitroindole.
What is the SMILES notation for 1-cyclopropyl-7-nitroindole?
The canonical SMILES for 1-cyclopropyl-7-nitroindole is O=[N+]([O-])c1cccc2ccn(C3CC3)c12.
What is the InChIKey of 1-cyclopropyl-7-nitroindole?
The InChIKey is PNAXKDRYIXSBKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O2/c14-13(15)10-3-1-2-8-6-7-12(11(8)10)9-4-5-9/h1-3,6-7,9H,4-5H2.
What are the key properties of 1-cyclopropyl-7-nitroindole?
1-cyclopropyl-7-nitroindole has a molecular weight of 202.21 g/mol, XLogP of 2.88, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-7-nitroindole is sourced from PubChem (CID 134940898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).