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

C15H19N3O3 — CID 63831578

IUPAC6-[(1-methylcyclopentyl)methylamino]-5-nitro-1,3-dihydroindol-2-one
SMILESCC1(CNc2cc3c(cc2[N+](=O)[O-])CC(=O)N3)CCCC1
InChIInChI=1S/C15H19N3O3/c1-15(4-2-3-5-15)9-16-12-8-11-10(7-14(19)17-11)6-13(12)18(20)21/h6,8,16H,2-5,7,9H2,1H3,(H,17,19)
InChIKeyZTKJXJQVBKDXSO-UHFFFAOYSA-N
MW289.33 g/mol
LogP3.08
Rot. Bonds4

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

6-[(1-methylcyclopentyl)methylamino]-5-nitro-1,3-dihydroindol-2-one (PubChem CID 63831578) has the molecular formula C15H19N3O3 and a molecular weight of 289.33 g/mol. Its IUPAC name is 6-[(1-methylcyclopentyl)methylamino]-5-nitro-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name6-[(1-methylcyclopentyl)methylamino]-5-nitro-1,3-dihydroindol-2-one
PubChem CID63831578
Molecular FormulaC15H19N3O3
Molecular Weight289.33 g/mol
Exact Mass289.14
IUPAC Name6-[(1-methylcyclopentyl)methylamino]-5-nitro-1,3-dihydroindol-2-one
SMILESCC1(CNc2cc3c(cc2[N+](=O)[O-])CC(=O)N3)CCCC1
InChIInChI=1S/C15H19N3O3/c1-15(4-2-3-5-15)9-16-12-8-11-10(7-14(19)17-11)6-13(12)18(20)21/h6,8,16H,2-5,7,9H2,1H3,(H,17,19)
InChIKeyZTKJXJQVBKDXSO-UHFFFAOYSA-N
XLogP3.08
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 ≤ 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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Frequently Asked Questions

What is the IUPAC name of 6-[(1-methylcyclopentyl)methylamino]-5-nitro-1,3-dihydroindol-2-one?
The IUPAC name of 6-[(1-methylcyclopentyl)methylamino]-5-nitro-1,3-dihydroindol-2-one (CID 63831578) is 6-[(1-methylcyclopentyl)methylamino]-5-nitro-1,3-dihydroindol-2-one.
What is the SMILES notation for 6-[(1-methylcyclopentyl)methylamino]-5-nitro-1,3-dihydroindol-2-one?
The canonical SMILES for 6-[(1-methylcyclopentyl)methylamino]-5-nitro-1,3-dihydroindol-2-one is CC1(CNc2cc3c(cc2[N+](=O)[O-])CC(=O)N3)CCCC1.
What is the InChIKey of 6-[(1-methylcyclopentyl)methylamino]-5-nitro-1,3-dihydroindol-2-one?
The InChIKey is ZTKJXJQVBKDXSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-15(4-2-3-5-15)9-16-12-8-11-10(7-14(19)17-11)6-13(12)18(20)21/h6,8,16H,2-5,7,9H2,1H3,(H,17,19).
What are the key properties of 6-[(1-methylcyclopentyl)methylamino]-5-nitro-1,3-dihydroindol-2-one?
6-[(1-methylcyclopentyl)methylamino]-5-nitro-1,3-dihydroindol-2-one has a molecular weight of 289.33 g/mol, XLogP of 3.08, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1-methylcyclopentyl)methylamino]-5-nitro-1,3-dihydroindol-2-one is sourced from PubChem (CID 63831578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).