3-amino-1-(cyclohexylmethyl)-5-nitro-3H-indol-2-one

C15H19N3O3 — CID 43254942

IUPAC3-amino-1-(cyclohexylmethyl)-5-nitro-3H-indol-2-one
SMILESNC1C(=O)N(CC2CCCCC2)c2ccc([N+](=O)[O-])cc21
InChIInChI=1S/C15H19N3O3/c16-14-12-8-11(18(20)21)6-7-13(12)17(15(14)19)9-10-4-2-1-3-5-10/h6-8,10,14H,1-5,9,16H2
InChIKeyIEBZRMSQITVNLZ-UHFFFAOYSA-N
MW289.33 g/mol
LogP2.52
Rot. Bonds3

About 3-amino-1-(cyclohexylmethyl)-5-nitro-3H-indol-2-one

3-amino-1-(cyclohexylmethyl)-5-nitro-3H-indol-2-one (PubChem CID 43254942) has the molecular formula C15H19N3O3 and a molecular weight of 289.33 g/mol. Its IUPAC name is 3-amino-1-(cyclohexylmethyl)-5-nitro-3H-indol-2-one.

Molecular Properties

Compound Name3-amino-1-(cyclohexylmethyl)-5-nitro-3H-indol-2-one
PubChem CID43254942
Molecular FormulaC15H19N3O3
Molecular Weight289.33 g/mol
Exact Mass289.14
IUPAC Name3-amino-1-(cyclohexylmethyl)-5-nitro-3H-indol-2-one
SMILESNC1C(=O)N(CC2CCCCC2)c2ccc([N+](=O)[O-])cc21
InChIInChI=1S/C15H19N3O3/c16-14-12-8-11(18(20)21)6-7-13(12)17(15(14)19)9-10-4-2-1-3-5-10/h6-8,10,14H,1-5,9,16H2
InChIKeyIEBZRMSQITVNLZ-UHFFFAOYSA-N
XLogP2.52
TPSA89.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 52.52
H-Bond Donors ≤ 51
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

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(cyclohexylmethyl)-5-nitro-3H-indol-2-one?
The IUPAC name of 3-amino-1-(cyclohexylmethyl)-5-nitro-3H-indol-2-one (CID 43254942) is 3-amino-1-(cyclohexylmethyl)-5-nitro-3H-indol-2-one.
What is the SMILES notation for 3-amino-1-(cyclohexylmethyl)-5-nitro-3H-indol-2-one?
The canonical SMILES for 3-amino-1-(cyclohexylmethyl)-5-nitro-3H-indol-2-one is NC1C(=O)N(CC2CCCCC2)c2ccc([N+](=O)[O-])cc21.
What is the InChIKey of 3-amino-1-(cyclohexylmethyl)-5-nitro-3H-indol-2-one?
The InChIKey is IEBZRMSQITVNLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c16-14-12-8-11(18(20)21)6-7-13(12)17(15(14)19)9-10-4-2-1-3-5-10/h6-8,10,14H,1-5,9,16H2.
What are the key properties of 3-amino-1-(cyclohexylmethyl)-5-nitro-3H-indol-2-one?
3-amino-1-(cyclohexylmethyl)-5-nitro-3H-indol-2-one has a molecular weight of 289.33 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(cyclohexylmethyl)-5-nitro-3H-indol-2-one is sourced from PubChem (CID 43254942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).