6-(cycloheptylamino)-5-nitro-1,3-dihydroindol-2-one

C15H19N3O3 — CID 43451829

IUPAC6-(cycloheptylamino)-5-nitro-1,3-dihydroindol-2-one
SMILESO=C1Cc2cc([N+](=O)[O-])c(NC3CCCCCC3)cc2N1
InChIInChI=1S/C15H19N3O3/c19-15-8-10-7-14(18(20)21)13(9-12(10)17-15)16-11-5-3-1-2-4-6-11/h7,9,11,16H,1-6,8H2,(H,17,19)
InChIKeyUMBYPRPOTLPSGI-UHFFFAOYSA-N
MW289.33 g/mol
LogP3.22
Rot. Bonds3

About 6-(cycloheptylamino)-5-nitro-1,3-dihydroindol-2-one

6-(cycloheptylamino)-5-nitro-1,3-dihydroindol-2-one (PubChem CID 43451829) has the molecular formula C15H19N3O3 and a molecular weight of 289.33 g/mol. Its IUPAC name is 6-(cycloheptylamino)-5-nitro-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name6-(cycloheptylamino)-5-nitro-1,3-dihydroindol-2-one
PubChem CID43451829
Molecular FormulaC15H19N3O3
Molecular Weight289.33 g/mol
Exact Mass289.14
IUPAC Name6-(cycloheptylamino)-5-nitro-1,3-dihydroindol-2-one
SMILESO=C1Cc2cc([N+](=O)[O-])c(NC3CCCCCC3)cc2N1
InChIInChI=1S/C15H19N3O3/c19-15-8-10-7-14(18(20)21)13(9-12(10)17-15)16-11-5-3-1-2-4-6-11/h7,9,11,16H,1-6,8H2,(H,17,19)
InChIKeyUMBYPRPOTLPSGI-UHFFFAOYSA-N
XLogP3.22
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 ≤ 53.22
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-[(4-methylcyclohexyl)amino]-5-nitro-1,3-dihydroindol-2-one
CID 43427396
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
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
5-amino-6-(cyclopentylamino)-1,3-dihydroindol-2-one
CID 43451665
6-[(1-methylcyclopentyl)amino]-5-nitro-1,3-dihydroindol-2-one
CID 61366777
6-[(2-methylcyclopentyl)methylamino]-5-nitro-1,3-dihydroindol-2-one
CID 107419063
6-cyclopropyl-5-nitro-1,3-dihydroindol-2-one
CID 69464158
7-[(3-methylcyclopentyl)amino]-6-nitro-3,4-dihydro-1H-quinolin-2-one
CID 114547751
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

Frequently Asked Questions

What is the IUPAC name of 6-(cycloheptylamino)-5-nitro-1,3-dihydroindol-2-one?
The IUPAC name of 6-(cycloheptylamino)-5-nitro-1,3-dihydroindol-2-one (CID 43451829) is 6-(cycloheptylamino)-5-nitro-1,3-dihydroindol-2-one.
What is the SMILES notation for 6-(cycloheptylamino)-5-nitro-1,3-dihydroindol-2-one?
The canonical SMILES for 6-(cycloheptylamino)-5-nitro-1,3-dihydroindol-2-one is O=C1Cc2cc([N+](=O)[O-])c(NC3CCCCCC3)cc2N1.
What is the InChIKey of 6-(cycloheptylamino)-5-nitro-1,3-dihydroindol-2-one?
The InChIKey is UMBYPRPOTLPSGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c19-15-8-10-7-14(18(20)21)13(9-12(10)17-15)16-11-5-3-1-2-4-6-11/h7,9,11,16H,1-6,8H2,(H,17,19).
What are the key properties of 6-(cycloheptylamino)-5-nitro-1,3-dihydroindol-2-one?
6-(cycloheptylamino)-5-nitro-1,3-dihydroindol-2-one has a molecular weight of 289.33 g/mol, XLogP of 3.22, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cycloheptylamino)-5-nitro-1,3-dihydroindol-2-one is sourced from PubChem (CID 43451829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).