6-[(4-methylcyclohexyl)amino]-5-nitro-1,3-dihydroindol-2-one

C15H19N3O3 — CID 43427396

IUPAC6-[(4-methylcyclohexyl)amino]-5-nitro-1,3-dihydroindol-2-one
SMILESCC1CCC(Nc2cc3c(cc2[N+](=O)[O-])CC(=O)N3)CC1
InChIInChI=1S/C15H19N3O3/c1-9-2-4-11(5-3-9)16-13-8-12-10(7-15(19)17-12)6-14(13)18(20)21/h6,8-9,11,16H,2-5,7H2,1H3,(H,17,19)
InChIKeyDBJBAMHFGIQEBA-UHFFFAOYSA-N
MW289.33 g/mol
LogP3.08
Rot. Bonds3

About 6-[(4-methylcyclohexyl)amino]-5-nitro-1,3-dihydroindol-2-one

6-[(4-methylcyclohexyl)amino]-5-nitro-1,3-dihydroindol-2-one (PubChem CID 43427396) has the molecular formula C15H19N3O3 and a molecular weight of 289.33 g/mol. Its IUPAC name is 6-[(4-methylcyclohexyl)amino]-5-nitro-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name6-[(4-methylcyclohexyl)amino]-5-nitro-1,3-dihydroindol-2-one
PubChem CID43427396
Molecular FormulaC15H19N3O3
Molecular Weight289.33 g/mol
Exact Mass289.14
IUPAC Name6-[(4-methylcyclohexyl)amino]-5-nitro-1,3-dihydroindol-2-one
SMILESCC1CCC(Nc2cc3c(cc2[N+](=O)[O-])CC(=O)N3)CC1
InChIInChI=1S/C15H19N3O3/c1-9-2-4-11(5-3-9)16-13-8-12-10(7-15(19)17-12)6-14(13)18(20)21/h6,8-9,11,16H,2-5,7H2,1H3,(H,17,19)
InChIKeyDBJBAMHFGIQEBA-UHFFFAOYSA-N
XLogP3.08
TPSA84.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

6-(cycloheptylamino)-5-nitro-1,3-dihydroindol-2-one
CID 43451829
6-[(1-methylpiperidin-4-yl)amino]-5-nitro-1,3-dihydroindol-2-one
CID 43451844
6-[(3-methylcyclohexyl)amino]-5-nitro-1,3-dihydroindol-2-one
CID 43451837
7-[(3-methylcyclopentyl)amino]-6-nitro-3,4-dihydro-1H-quinolin-2-one
CID 114547751
5-nitro-6-(pyrrolidin-3-ylamino)-1,3-dihydroindol-2-one
CID 62380988
6-(cyclohexylamino)-7-nitro-3,4-dihydro-1H-quinolin-2-one
CID 43427172
6-[(2-methylcyclopentyl)methylamino]-5-nitro-1,3-dihydroindol-2-one
CID 107419063
6-[(1-methylcyclopentyl)amino]-5-nitro-1,3-dihydroindol-2-one
CID 61366777
6-[(2-amino-2-methylpropyl)amino]-5-nitro-1,3-dihydroindol-2-one
CID 115303793
5-nitro-6-(prop-2-ynylamino)-1,3-dihydroindol-2-one
CID 62141089
5-amino-6-(cyclopropylamino)-1,3-dihydroindol-2-one
CID 43451663
6-(azetidin-3-yloxy)-5-nitro-1,3-dihydroindol-2-one
CID 63105926

Frequently Asked Questions

What is the IUPAC name of 6-[(4-methylcyclohexyl)amino]-5-nitro-1,3-dihydroindol-2-one?
The IUPAC name of 6-[(4-methylcyclohexyl)amino]-5-nitro-1,3-dihydroindol-2-one (CID 43427396) is 6-[(4-methylcyclohexyl)amino]-5-nitro-1,3-dihydroindol-2-one.
What is the SMILES notation for 6-[(4-methylcyclohexyl)amino]-5-nitro-1,3-dihydroindol-2-one?
The canonical SMILES for 6-[(4-methylcyclohexyl)amino]-5-nitro-1,3-dihydroindol-2-one is CC1CCC(Nc2cc3c(cc2[N+](=O)[O-])CC(=O)N3)CC1.
What is the InChIKey of 6-[(4-methylcyclohexyl)amino]-5-nitro-1,3-dihydroindol-2-one?
The InChIKey is DBJBAMHFGIQEBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-9-2-4-11(5-3-9)16-13-8-12-10(7-15(19)17-12)6-14(13)18(20)21/h6,8-9,11,16H,2-5,7H2,1H3,(H,17,19).
What are the key properties of 6-[(4-methylcyclohexyl)amino]-5-nitro-1,3-dihydroindol-2-one?
6-[(4-methylcyclohexyl)amino]-5-nitro-1,3-dihydroindol-2-one has a molecular weight of 289.33 g/mol, XLogP of 3.08, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-methylcyclohexyl)amino]-5-nitro-1,3-dihydroindol-2-one is sourced from PubChem (CID 43427396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).