6-cyclopropyl-5-nitro-1,3-dihydroindol-2-one

C11H10N2O3 — CID 69464158

IUPAC6-cyclopropyl-5-nitro-1,3-dihydroindol-2-one
SMILESO=C1Cc2cc([N+](=O)[O-])c(C3CC3)cc2N1
InChIInChI=1S/C11H10N2O3/c14-11-4-7-3-10(13(15)16)8(6-1-2-6)5-9(7)12-11/h3,5-6H,1-2,4H2,(H,12,14)
InChIKeyKHXUMAMCPDZNAG-UHFFFAOYSA-N
MW218.21 g/mol
LogP1.97
Rot. Bonds2

About 6-cyclopropyl-5-nitro-1,3-dihydroindol-2-one

6-cyclopropyl-5-nitro-1,3-dihydroindol-2-one (PubChem CID 69464158) has the molecular formula C11H10N2O3 and a molecular weight of 218.21 g/mol. Its IUPAC name is 6-cyclopropyl-5-nitro-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name6-cyclopropyl-5-nitro-1,3-dihydroindol-2-one
PubChem CID69464158
Molecular FormulaC11H10N2O3
Molecular Weight218.21 g/mol
Exact Mass218.07
IUPAC Name6-cyclopropyl-5-nitro-1,3-dihydroindol-2-one
SMILESO=C1Cc2cc([N+](=O)[O-])c(C3CC3)cc2N1
InChIInChI=1S/C11H10N2O3/c14-11-4-7-3-10(13(15)16)8(6-1-2-6)5-9(7)12-11/h3,5-6H,1-2,4H2,(H,12,14)
InChIKeyKHXUMAMCPDZNAG-UHFFFAOYSA-N
XLogP1.97
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.21
LogP ≤ 51.97
H-Bond Donors ≤ 51
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

5-chloro-6-nitro-1,3-dihydroindol-2-one
CID 141362608
5-nitro-6-(trifluoromethyl)-1,3-dihydroindol-2-one
CID 154202750
6-(cycloheptylamino)-5-nitro-1,3-dihydroindol-2-one
CID 43451829
6-[(4-methylcyclohexyl)amino]-5-nitro-1,3-dihydroindol-2-one
CID 43427396
6-(azetidin-3-yloxy)-5-nitro-1,3-dihydroindol-2-one
CID 63105926
6-[(1-methylpiperidin-4-yl)amino]-5-nitro-1,3-dihydroindol-2-one
CID 43451844
5-nitro-6-(pyrrolidin-3-ylamino)-1,3-dihydroindol-2-one
CID 62380988
6-[(1-methylcyclopentyl)amino]-5-nitro-1,3-dihydroindol-2-one
CID 61366777
6-[(3R)-3-aminopiperidin-1-yl]-5-nitro-1,3-dihydroindol-2-one
CID 102986412
6-[(3-methylcyclohexyl)amino]-5-nitro-1,3-dihydroindol-2-one
CID 43451837
5-nitro-6-(prop-2-ynylamino)-1,3-dihydroindol-2-one
CID 62141089
6-[(2-amino-2-methylpropyl)amino]-5-nitro-1,3-dihydroindol-2-one
CID 115303793

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-5-nitro-1,3-dihydroindol-2-one?
The IUPAC name of 6-cyclopropyl-5-nitro-1,3-dihydroindol-2-one (CID 69464158) is 6-cyclopropyl-5-nitro-1,3-dihydroindol-2-one.
What is the SMILES notation for 6-cyclopropyl-5-nitro-1,3-dihydroindol-2-one?
The canonical SMILES for 6-cyclopropyl-5-nitro-1,3-dihydroindol-2-one is O=C1Cc2cc([N+](=O)[O-])c(C3CC3)cc2N1.
What is the InChIKey of 6-cyclopropyl-5-nitro-1,3-dihydroindol-2-one?
The InChIKey is KHXUMAMCPDZNAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O3/c14-11-4-7-3-10(13(15)16)8(6-1-2-6)5-9(7)12-11/h3,5-6H,1-2,4H2,(H,12,14).
What are the key properties of 6-cyclopropyl-5-nitro-1,3-dihydroindol-2-one?
6-cyclopropyl-5-nitro-1,3-dihydroindol-2-one has a molecular weight of 218.21 g/mol, XLogP of 1.97, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-5-nitro-1,3-dihydroindol-2-one is sourced from PubChem (CID 69464158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).