8-[2-(2-nitrophenyl)ethyl]-1,4-dioxa-8-azaspiro[4.5]decane

C15H20N2O4 — CID 19045290

IUPAC8-[2-(2-nitrophenyl)ethyl]-1,4-dioxa-8-azaspiro[4.5]decane
SMILESO=[N+]([O-])c1ccccc1CCN1CCC2(CC1)OCCO2
InChIInChI=1S/C15H20N2O4/c18-17(19)14-4-2-1-3-13(14)5-8-16-9-6-15(7-10-16)20-11-12-21-15/h1-4H,5-12H2
InChIKeyVJCLGCAFKAATGB-UHFFFAOYSA-N
MW292.33 g/mol
LogP1.98
Rot. Bonds4

About 8-[2-(2-nitrophenyl)ethyl]-1,4-dioxa-8-azaspiro[4.5]decane

8-[2-(2-nitrophenyl)ethyl]-1,4-dioxa-8-azaspiro[4.5]decane (PubChem CID 19045290) has the molecular formula C15H20N2O4 and a molecular weight of 292.33 g/mol. Its IUPAC name is 8-[2-(2-nitrophenyl)ethyl]-1,4-dioxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name8-[2-(2-nitrophenyl)ethyl]-1,4-dioxa-8-azaspiro[4.5]decane
PubChem CID19045290
Molecular FormulaC15H20N2O4
Molecular Weight292.33 g/mol
Exact Mass292.14
IUPAC Name8-[2-(2-nitrophenyl)ethyl]-1,4-dioxa-8-azaspiro[4.5]decane
SMILESO=[N+]([O-])c1ccccc1CCN1CCC2(CC1)OCCO2
InChIInChI=1S/C15H20N2O4/c18-17(19)14-4-2-1-3-13(14)5-8-16-9-6-15(7-10-16)20-11-12-21-15/h1-4H,5-12H2
InChIKeyVJCLGCAFKAATGB-UHFFFAOYSA-N
XLogP1.98
TPSA64.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-[2-(2-nitrophenyl)ethyl]-3,6-dihydro-2H-pyridine
CID 57092279
4,4-dimethyl-1-[(2-nitrophenyl)methyl]piperidine
CID 174618434
[1-[2-(2-nitrophenyl)ethyl]piperidin-3-yl]methanamine
CID 63061791
4-methyl-1-[(2-nitrophenyl)methyl]piperidin-4-ol
CID 80702501
(E)-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-(2-nitrophenyl)prop-2-en-1-one
CID 35370633
4-methyl-1-[2-(2-nitrophenyl)ethyl]piperidin-3-ol
CID 102959518
2-(2-nitrophenyl)-N-(2-piperidin-1-ylethyl)ethanamine
CID 63063657
2-[1-[2-(2-nitrophenyl)ethyl]piperidin-3-yl]acetic acid
CID 63062464
8-[2-(4-bromophenyl)ethyl]-1,4-dioxa-8-azaspiro[4.5]decane
CID 11198162
[3-[2-(2-nitrophenyl)ethyl]oxolan-3-yl]methanamine
CID 65393225
N-[(2-nitrophenyl)methyl]-2-pyrrolidin-1-ylethanamine
CID 28654094
5,5-dimethyl-3-[(2-nitrophenyl)methyl]-1,3-oxazolidine
CID 151165345

Frequently Asked Questions

What is the IUPAC name of 8-[2-(2-nitrophenyl)ethyl]-1,4-dioxa-8-azaspiro[4.5]decane?
The IUPAC name of 8-[2-(2-nitrophenyl)ethyl]-1,4-dioxa-8-azaspiro[4.5]decane (CID 19045290) is 8-[2-(2-nitrophenyl)ethyl]-1,4-dioxa-8-azaspiro[4.5]decane.
What is the SMILES notation for 8-[2-(2-nitrophenyl)ethyl]-1,4-dioxa-8-azaspiro[4.5]decane?
The canonical SMILES for 8-[2-(2-nitrophenyl)ethyl]-1,4-dioxa-8-azaspiro[4.5]decane is O=[N+]([O-])c1ccccc1CCN1CCC2(CC1)OCCO2.
What is the InChIKey of 8-[2-(2-nitrophenyl)ethyl]-1,4-dioxa-8-azaspiro[4.5]decane?
The InChIKey is VJCLGCAFKAATGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c18-17(19)14-4-2-1-3-13(14)5-8-16-9-6-15(7-10-16)20-11-12-21-15/h1-4H,5-12H2.
What are the key properties of 8-[2-(2-nitrophenyl)ethyl]-1,4-dioxa-8-azaspiro[4.5]decane?
8-[2-(2-nitrophenyl)ethyl]-1,4-dioxa-8-azaspiro[4.5]decane has a molecular weight of 292.33 g/mol, XLogP of 1.98, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-(2-nitrophenyl)ethyl]-1,4-dioxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 19045290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).