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

C14H17N3O3 — CID 61366777

IUPAC6-[(1-methylcyclopentyl)amino]-5-nitro-1,3-dihydroindol-2-one
SMILESCC1(Nc2cc3c(cc2[N+](=O)[O-])CC(=O)N3)CCCC1
InChIInChI=1S/C14H17N3O3/c1-14(4-2-3-5-14)16-11-8-10-9(7-13(18)15-10)6-12(11)17(19)20/h6,8,16H,2-5,7H2,1H3,(H,15,18)
InChIKeyZSMDSASSJAHYSA-UHFFFAOYSA-N
MW275.31 g/mol
LogP2.83
Rot. Bonds3

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

6-[(1-methylcyclopentyl)amino]-5-nitro-1,3-dihydroindol-2-one (PubChem CID 61366777) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is 6-[(1-methylcyclopentyl)amino]-5-nitro-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name6-[(1-methylcyclopentyl)amino]-5-nitro-1,3-dihydroindol-2-one
PubChem CID61366777
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC Name6-[(1-methylcyclopentyl)amino]-5-nitro-1,3-dihydroindol-2-one
SMILESCC1(Nc2cc3c(cc2[N+](=O)[O-])CC(=O)N3)CCCC1
InChIInChI=1S/C14H17N3O3/c1-14(4-2-3-5-14)16-11-8-10-9(7-13(18)15-10)6-12(11)17(19)20/h6,8,16H,2-5,7H2,1H3,(H,15,18)
InChIKeyZSMDSASSJAHYSA-UHFFFAOYSA-N
XLogP2.83
TPSA84.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 52.83
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)amino]-5-nitro-1,3-dihydroindol-2-one?
The IUPAC name of 6-[(1-methylcyclopentyl)amino]-5-nitro-1,3-dihydroindol-2-one (CID 61366777) is 6-[(1-methylcyclopentyl)amino]-5-nitro-1,3-dihydroindol-2-one.
What is the SMILES notation for 6-[(1-methylcyclopentyl)amino]-5-nitro-1,3-dihydroindol-2-one?
The canonical SMILES for 6-[(1-methylcyclopentyl)amino]-5-nitro-1,3-dihydroindol-2-one is CC1(Nc2cc3c(cc2[N+](=O)[O-])CC(=O)N3)CCCC1.
What is the InChIKey of 6-[(1-methylcyclopentyl)amino]-5-nitro-1,3-dihydroindol-2-one?
The InChIKey is ZSMDSASSJAHYSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3/c1-14(4-2-3-5-14)16-11-8-10-9(7-13(18)15-10)6-12(11)17(19)20/h6,8,16H,2-5,7H2,1H3,(H,15,18).
What are the key properties of 6-[(1-methylcyclopentyl)amino]-5-nitro-1,3-dihydroindol-2-one?
6-[(1-methylcyclopentyl)amino]-5-nitro-1,3-dihydroindol-2-one has a molecular weight of 275.31 g/mol, XLogP of 2.83, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1-methylcyclopentyl)amino]-5-nitro-1,3-dihydroindol-2-one is sourced from PubChem (CID 61366777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).