1'-ethyl-5'-nitrospiro[cyclohexane-1,3'-indole]-2'-one

C15H18N2O3 — CID 58812021

IUPAC1'-ethyl-5'-nitrospiro[cyclohexane-1,3'-indole]-2'-one
SMILESCCN1C(=O)C2(CCCCC2)c2cc([N+](=O)[O-])ccc21
InChIInChI=1S/C15H18N2O3/c1-2-16-13-7-6-11(17(19)20)10-12(13)15(14(16)18)8-4-3-5-9-15/h6-7,10H,2-5,8-9H2,1H3
InChIKeyOUOVZCDRXSXXBE-UHFFFAOYSA-N
MW274.32 g/mol
LogP3.16
Rot. Bonds2

About 1'-ethyl-5'-nitrospiro[cyclohexane-1,3'-indole]-2'-one

1'-ethyl-5'-nitrospiro[cyclohexane-1,3'-indole]-2'-one (PubChem CID 58812021) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is 1'-ethyl-5'-nitrospiro[cyclohexane-1,3'-indole]-2'-one.

Molecular Properties

Compound Name1'-ethyl-5'-nitrospiro[cyclohexane-1,3'-indole]-2'-one
PubChem CID58812021
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Name1'-ethyl-5'-nitrospiro[cyclohexane-1,3'-indole]-2'-one
SMILESCCN1C(=O)C2(CCCCC2)c2cc([N+](=O)[O-])ccc21
InChIInChI=1S/C15H18N2O3/c1-2-16-13-7-6-11(17(19)20)10-12(13)15(14(16)18)8-4-3-5-9-15/h6-7,10H,2-5,8-9H2,1H3
InChIKeyOUOVZCDRXSXXBE-UHFFFAOYSA-N
XLogP3.16
TPSA63.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

1-ethyl-3,3-dimethyl-6-nitroindol-2-one
CID 69071675
1-methyl-5-nitrospiro[indole-3,4'-oxane]-2-one
CID 122459681
5'-amino-1'-ethylspiro[cyclopropane-1,3'-indole]-2'-one
CID 84618269
tert-butyl 5'-nitro-2'-oxospiro[cyclobutane-1,3'-indole]-1'-carboxylate
CID 118186268
1-ethyl-5,5-dimethyl-8-nitro-3,4-dihydro-2H-1-benzazepine
CID 151001715
3,3-dimethyl-1-(3-morpholin-4-ylpropyl)-5-nitroindol-2-one
CID 141173912
1'-ethylspiro[cyclohexane-4,3'-indole]-1,2'-dione
CID 11615676
5-amino-1-ethyl-3H-indol-2-one;1-ethyl-5-nitro-3H-indol-2-one
CID 162255854
1-ethyl-3,3,7-trimethyl-5-nitroindol-2-one
CID 71300011
1'-(3,3-dimethyl-2-oxobutyl)-5'-nitrospiro[1,3-dioxolane-2,3'-indole]-2'-one
CID 3320007
1'-benzyl-5'-nitrospiro[1,3-dioxolane-2,3'-indole]-2'-one
CID 142598896
1-ethyl-3-hydroxy-3-[2-(3-nitrophenyl)-2-oxoethyl]indol-2-one
CID 2910407

Frequently Asked Questions

What is the IUPAC name of 1'-ethyl-5'-nitrospiro[cyclohexane-1,3'-indole]-2'-one?
The IUPAC name of 1'-ethyl-5'-nitrospiro[cyclohexane-1,3'-indole]-2'-one (CID 58812021) is 1'-ethyl-5'-nitrospiro[cyclohexane-1,3'-indole]-2'-one.
What is the SMILES notation for 1'-ethyl-5'-nitrospiro[cyclohexane-1,3'-indole]-2'-one?
The canonical SMILES for 1'-ethyl-5'-nitrospiro[cyclohexane-1,3'-indole]-2'-one is CCN1C(=O)C2(CCCCC2)c2cc([N+](=O)[O-])ccc21.
What is the InChIKey of 1'-ethyl-5'-nitrospiro[cyclohexane-1,3'-indole]-2'-one?
The InChIKey is OUOVZCDRXSXXBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-2-16-13-7-6-11(17(19)20)10-12(13)15(14(16)18)8-4-3-5-9-15/h6-7,10H,2-5,8-9H2,1H3.
What are the key properties of 1'-ethyl-5'-nitrospiro[cyclohexane-1,3'-indole]-2'-one?
1'-ethyl-5'-nitrospiro[cyclohexane-1,3'-indole]-2'-one has a molecular weight of 274.32 g/mol, XLogP of 3.16, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-ethyl-5'-nitrospiro[cyclohexane-1,3'-indole]-2'-one is sourced from PubChem (CID 58812021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).