2'-ethyl-7-nitrospiro[1,2-dihydroindole-3,4'-oxane]

C14H18N2O3 — CID 106701742

IUPAC2'-ethyl-7-nitrospiro[1,2-dihydroindole-3,4'-oxane]
SMILESCCC1CC2(CCO1)CNc1c([N+](=O)[O-])cccc12
InChIInChI=1S/C14H18N2O3/c1-2-10-8-14(6-7-19-10)9-15-13-11(14)4-3-5-12(13)16(17)18/h3-5,10,15H,2,6-9H2,1H3
InChIKeyUHYMKFTUPWTVMP-UHFFFAOYSA-N
MW262.31 g/mol
LogP2.85
Rot. Bonds2

About 2'-ethyl-7-nitrospiro[1,2-dihydroindole-3,4'-oxane]

2'-ethyl-7-nitrospiro[1,2-dihydroindole-3,4'-oxane] (PubChem CID 106701742) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is 2'-ethyl-7-nitrospiro[1,2-dihydroindole-3,4'-oxane].

Molecular Properties

Compound Name2'-ethyl-7-nitrospiro[1,2-dihydroindole-3,4'-oxane]
PubChem CID106701742
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name2'-ethyl-7-nitrospiro[1,2-dihydroindole-3,4'-oxane]
SMILESCCC1CC2(CCO1)CNc1c([N+](=O)[O-])cccc12
InChIInChI=1S/C14H18N2O3/c1-2-10-8-14(6-7-19-10)9-15-13-11(14)4-3-5-12(13)16(17)18/h3-5,10,15H,2,6-9H2,1H3
InChIKeyUHYMKFTUPWTVMP-UHFFFAOYSA-N
XLogP2.85
TPSA64.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 52.85
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

4',4'-difluoro-7-nitrospiro[1H-indole-3,1'-cyclohexane]-2-one
CID 106702116
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CID 83820748
7-ethyl-4,6-dioxaspiro[2.5]octane;5-nitro-1H-pyrazole
CID 160889689
(2-amino-3-nitrophenyl)-(2-ethylmorpholin-4-yl)methanone
CID 115678605
7-nitrospiro[2H-1-benzofuran-3,4'-piperidine]
CID 22459352
N,2-dimethyl-N-(morpholin-2-ylmethyl)-6-nitroaniline
CID 115553948
(3S)-7-nitro-3-propan-2-yl-2,3-dihydro-1H-indole
CID 124680905
6-methyl-9-nitro-1,2,3,5-tetrahydro-4,1-benzoxazepine
CID 54011727
3,3-dimethyl-5,7-dinitro-1,2-dihydroindole
CID 82476606
2-methyl-3-nitro-N-(oxolan-2-ylmethyl)aniline
CID 60721681
N-ethyl-2-nitro-N-(oxolan-2-ylmethyl)aniline
CID 133273815
N-ethyl-2-nitro-N-(oxolan-2-ylmethyl)benzamide
CID 3350667

Frequently Asked Questions

What is the IUPAC name of 2'-ethyl-7-nitrospiro[1,2-dihydroindole-3,4'-oxane]?
The IUPAC name of 2'-ethyl-7-nitrospiro[1,2-dihydroindole-3,4'-oxane] (CID 106701742) is 2'-ethyl-7-nitrospiro[1,2-dihydroindole-3,4'-oxane].
What is the SMILES notation for 2'-ethyl-7-nitrospiro[1,2-dihydroindole-3,4'-oxane]?
The canonical SMILES for 2'-ethyl-7-nitrospiro[1,2-dihydroindole-3,4'-oxane] is CCC1CC2(CCO1)CNc1c([N+](=O)[O-])cccc12.
What is the InChIKey of 2'-ethyl-7-nitrospiro[1,2-dihydroindole-3,4'-oxane]?
The InChIKey is UHYMKFTUPWTVMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-2-10-8-14(6-7-19-10)9-15-13-11(14)4-3-5-12(13)16(17)18/h3-5,10,15H,2,6-9H2,1H3.
What are the key properties of 2'-ethyl-7-nitrospiro[1,2-dihydroindole-3,4'-oxane]?
2'-ethyl-7-nitrospiro[1,2-dihydroindole-3,4'-oxane] has a molecular weight of 262.31 g/mol, XLogP of 2.85, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2'-ethyl-7-nitrospiro[1,2-dihydroindole-3,4'-oxane] is sourced from PubChem (CID 106701742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).