6-[(2-methylcyclopentyl)methylamino]-5-nitro-1,3-dihydroindol-2-one

C15H19N3O3 — CID 107419063

IUPAC6-[(2-methylcyclopentyl)methylamino]-5-nitro-1,3-dihydroindol-2-one
SMILESCC1CCCC1CNc1cc2c(cc1[N+](=O)[O-])CC(=O)N2
InChIInChI=1S/C15H19N3O3/c1-9-3-2-4-10(9)8-16-13-7-12-11(6-15(19)17-12)5-14(13)18(20)21/h5,7,9-10,16H,2-4,6,8H2,1H3,(H,17,19)
InChIKeyYXXANKQZHQPDJS-UHFFFAOYSA-N
MW289.33 g/mol
LogP2.94
Rot. Bonds4

About 6-[(2-methylcyclopentyl)methylamino]-5-nitro-1,3-dihydroindol-2-one

6-[(2-methylcyclopentyl)methylamino]-5-nitro-1,3-dihydroindol-2-one (PubChem CID 107419063) has the molecular formula C15H19N3O3 and a molecular weight of 289.33 g/mol. Its IUPAC name is 6-[(2-methylcyclopentyl)methylamino]-5-nitro-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name6-[(2-methylcyclopentyl)methylamino]-5-nitro-1,3-dihydroindol-2-one
PubChem CID107419063
Molecular FormulaC15H19N3O3
Molecular Weight289.33 g/mol
Exact Mass289.14
IUPAC Name6-[(2-methylcyclopentyl)methylamino]-5-nitro-1,3-dihydroindol-2-one
SMILESCC1CCCC1CNc1cc2c(cc1[N+](=O)[O-])CC(=O)N2
InChIInChI=1S/C15H19N3O3/c1-9-3-2-4-10(9)8-16-13-7-12-11(6-15(19)17-12)5-14(13)18(20)21/h5,7,9-10,16H,2-4,6,8H2,1H3,(H,17,19)
InChIKeyYXXANKQZHQPDJS-UHFFFAOYSA-N
XLogP2.94
TPSA84.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 52.94
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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Frequently Asked Questions

What is the IUPAC name of 6-[(2-methylcyclopentyl)methylamino]-5-nitro-1,3-dihydroindol-2-one?
The IUPAC name of 6-[(2-methylcyclopentyl)methylamino]-5-nitro-1,3-dihydroindol-2-one (CID 107419063) is 6-[(2-methylcyclopentyl)methylamino]-5-nitro-1,3-dihydroindol-2-one.
What is the SMILES notation for 6-[(2-methylcyclopentyl)methylamino]-5-nitro-1,3-dihydroindol-2-one?
The canonical SMILES for 6-[(2-methylcyclopentyl)methylamino]-5-nitro-1,3-dihydroindol-2-one is CC1CCCC1CNc1cc2c(cc1[N+](=O)[O-])CC(=O)N2.
What is the InChIKey of 6-[(2-methylcyclopentyl)methylamino]-5-nitro-1,3-dihydroindol-2-one?
The InChIKey is YXXANKQZHQPDJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-9-3-2-4-10(9)8-16-13-7-12-11(6-15(19)17-12)5-14(13)18(20)21/h5,7,9-10,16H,2-4,6,8H2,1H3,(H,17,19).
What are the key properties of 6-[(2-methylcyclopentyl)methylamino]-5-nitro-1,3-dihydroindol-2-one?
6-[(2-methylcyclopentyl)methylamino]-5-nitro-1,3-dihydroindol-2-one has a molecular weight of 289.33 g/mol, XLogP of 2.94, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-methylcyclopentyl)methylamino]-5-nitro-1,3-dihydroindol-2-one is sourced from PubChem (CID 107419063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).