1-cyclopropyl-7-fluoro-5-nitro-3H-indol-2-one

C11H9FN2O3 — CID 69275410

IUPAC1-cyclopropyl-7-fluoro-5-nitro-3H-indol-2-one
SMILESO=C1Cc2cc([N+](=O)[O-])cc(F)c2N1C1CC1
InChIInChI=1S/C11H9FN2O3/c12-9-5-8(14(16)17)3-6-4-10(15)13(11(6)9)7-1-2-7/h3,5,7H,1-2,4H2
InChIKeyDXZIOSALKTVICL-UHFFFAOYSA-N
MW236.20 g/mol
LogP1.79
Rot. Bonds2

About 1-cyclopropyl-7-fluoro-5-nitro-3H-indol-2-one

1-cyclopropyl-7-fluoro-5-nitro-3H-indol-2-one (PubChem CID 69275410) has the molecular formula C11H9FN2O3 and a molecular weight of 236.20 g/mol. Its IUPAC name is 1-cyclopropyl-7-fluoro-5-nitro-3H-indol-2-one.

Molecular Properties

Compound Name1-cyclopropyl-7-fluoro-5-nitro-3H-indol-2-one
PubChem CID69275410
Molecular FormulaC11H9FN2O3
Molecular Weight236.20 g/mol
Exact Mass236.06
IUPAC Name1-cyclopropyl-7-fluoro-5-nitro-3H-indol-2-one
SMILESO=C1Cc2cc([N+](=O)[O-])cc(F)c2N1C1CC1
InChIInChI=1S/C11H9FN2O3/c12-9-5-8(14(16)17)3-6-4-10(15)13(11(6)9)7-1-2-7/h3,5,7H,1-2,4H2
InChIKeyDXZIOSALKTVICL-UHFFFAOYSA-N
XLogP1.79
TPSA63.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.20
LogP ≤ 51.79
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'}

Analyze 1-cyclopropyl-7-fluoro-5-nitro-3H-indol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(cyclopropylmethyl)-7-fluoro-5-nitro-3H-indol-2-one
CID 69274165
1-cyclopropyl-5-nitro-3H-indol-2-one
CID 69317249
1-(2,6-difluoro-4-nitrophenyl)pyrrolidin-3-ol
CID 58296081
(3R,5R)-1-(2,6-difluoro-4-nitrophenyl)-3,5-dimethylpiperidine
CID 124560155
(1S,5R)-3-(2,6-difluoro-4-nitrophenyl)-3-azabicyclo[3.1.0]hexan-6-ol
CID 59996355
1-(2,6-difluoro-4-nitrophenyl)-5-oxopyrrolidine-3-carboxamide
CID 168697600
1-[26,27,28-tris(aziridin-1-yl)-5,11,17,23-tetranitro-25-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaenyl]aziridine
CID 102068424
8-(2-fluoro-4-nitrophenyl)-3-thia-8-azabicyclo[3.2.1]octane
CID 126483766
4-amino-1-(2-bromo-6-fluoro-4-nitrophenyl)pyrrolidin-2-one
CID 168700438
5-bromo-2-(2,6-difluoro-4-nitrophenyl)-1,3-dihydroisoindole
CID 133471710
3,5-difluoro-4-(2,2,3,3,5,5,6,6-octadeuteriothiomorpholin-4-yl)aniline;2,2,3,3,5,5,6,6-octadeuterio-4-(2,6-difluoro-4-nitrophenyl)thiomorpholine
CID 159810906
8-(2,6-difluoro-4-nitrophenyl)-3-(2-methylpyrazol-3-yl)-8-azabicyclo[3.2.1]oct-2-ene
CID 119038149

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-7-fluoro-5-nitro-3H-indol-2-one?
The IUPAC name of 1-cyclopropyl-7-fluoro-5-nitro-3H-indol-2-one (CID 69275410) is 1-cyclopropyl-7-fluoro-5-nitro-3H-indol-2-one.
What is the SMILES notation for 1-cyclopropyl-7-fluoro-5-nitro-3H-indol-2-one?
The canonical SMILES for 1-cyclopropyl-7-fluoro-5-nitro-3H-indol-2-one is O=C1Cc2cc([N+](=O)[O-])cc(F)c2N1C1CC1.
What is the InChIKey of 1-cyclopropyl-7-fluoro-5-nitro-3H-indol-2-one?
The InChIKey is DXZIOSALKTVICL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FN2O3/c12-9-5-8(14(16)17)3-6-4-10(15)13(11(6)9)7-1-2-7/h3,5,7H,1-2,4H2.
What are the key properties of 1-cyclopropyl-7-fluoro-5-nitro-3H-indol-2-one?
1-cyclopropyl-7-fluoro-5-nitro-3H-indol-2-one has a molecular weight of 236.20 g/mol, XLogP of 1.79, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-7-fluoro-5-nitro-3H-indol-2-one is sourced from PubChem (CID 69275410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).