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

C11H10N2O3 — CID 69317249

IUPAC1-cyclopropyl-5-nitro-3H-indol-2-one
SMILESO=C1Cc2cc([N+](=O)[O-])ccc2N1C1CC1
InChIInChI=1S/C11H10N2O3/c14-11-6-7-5-9(13(15)16)3-4-10(7)12(11)8-1-2-8/h3-5,8H,1-2,6H2
InChIKeyOTWHISMDCMBWNQ-UHFFFAOYSA-N
MW218.21 g/mol
LogP1.65
Rot. Bonds2

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

1-cyclopropyl-5-nitro-3H-indol-2-one (PubChem CID 69317249) has the molecular formula C11H10N2O3 and a molecular weight of 218.21 g/mol. Its IUPAC name is 1-cyclopropyl-5-nitro-3H-indol-2-one.

Molecular Properties

Compound Name1-cyclopropyl-5-nitro-3H-indol-2-one
PubChem CID69317249
Molecular FormulaC11H10N2O3
Molecular Weight218.21 g/mol
Exact Mass218.07
IUPAC Name1-cyclopropyl-5-nitro-3H-indol-2-one
SMILESO=C1Cc2cc([N+](=O)[O-])ccc2N1C1CC1
InChIInChI=1S/C11H10N2O3/c14-11-6-7-5-9(13(15)16)3-4-10(7)12(11)8-1-2-8/h3-5,8H,1-2,6H2
InChIKeyOTWHISMDCMBWNQ-UHFFFAOYSA-N
XLogP1.65
TPSA63.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.21
LogP ≤ 51.65
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

1-cyclopropyl-7-fluoro-5-nitro-3H-indol-2-one
CID 69275410
2-methylidene-5-nitro-1-(oxetan-3-yl)-3H-indole
CID 158449596
2-(5-nitro-2-oxo-3H-indol-1-yl)acetonitrile
CID 165104212
5-amino-1-ethyl-3H-indol-2-one;1-ethyl-5-nitro-3H-indol-2-one
CID 162255854
1-(4-chlorobut-2-enyl)-5-nitro-3H-indol-2-one
CID 77051367
1-(3-hydroxybutyl)-5-nitro-3H-indol-2-one
CID 114983007
1-(2-morpholin-4-ylethyl)-5-nitro-3H-indol-2-one
CID 169265741
5-nitro-2-oxo-N-phenyl-3H-indole-1-carboxamide
CID 15145312
8-(2-fluoro-4-nitrophenyl)-3-thia-8-azabicyclo[3.2.1]octane
CID 126483766
4-(5-nitro-2-oxo-3H-indol-1-yl)butanehydrazide
CID 63577959
2-[(2S)-5-nitro-2,3-dihydro-1H-inden-2-yl]isoindole-1,3-dione
CID 95608266
1-[(2-amino-3-pyridinyl)methyl]-5-nitro-3H-indol-2-one
CID 62466164

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-5-nitro-3H-indol-2-one?
The IUPAC name of 1-cyclopropyl-5-nitro-3H-indol-2-one (CID 69317249) is 1-cyclopropyl-5-nitro-3H-indol-2-one.
What is the SMILES notation for 1-cyclopropyl-5-nitro-3H-indol-2-one?
The canonical SMILES for 1-cyclopropyl-5-nitro-3H-indol-2-one is O=C1Cc2cc([N+](=O)[O-])ccc2N1C1CC1.
What is the InChIKey of 1-cyclopropyl-5-nitro-3H-indol-2-one?
The InChIKey is OTWHISMDCMBWNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O3/c14-11-6-7-5-9(13(15)16)3-4-10(7)12(11)8-1-2-8/h3-5,8H,1-2,6H2.
What are the key properties of 1-cyclopropyl-5-nitro-3H-indol-2-one?
1-cyclopropyl-5-nitro-3H-indol-2-one has a molecular weight of 218.21 g/mol, XLogP of 1.65, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-5-nitro-3H-indol-2-one is sourced from PubChem (CID 69317249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).