2-(3-nitrophenyl)spiro[3.4]octan-2-amine

C14H18N2O2 — CID 103194024

IUPAC2-(3-nitrophenyl)spiro[3.4]octan-2-amine
SMILESNC1(c2cccc([N+](=O)[O-])c2)CC2(CCCC2)C1
InChIInChI=1S/C14H18N2O2/c15-14(9-13(10-14)6-1-2-7-13)11-4-3-5-12(8-11)16(17)18/h3-5,8H,1-2,6-7,9-10,15H2
InChIKeyJSZMWNMNYPNTBV-UHFFFAOYSA-N
MW246.31 g/mol
LogP3.10
Rot. Bonds2

About 2-(3-nitrophenyl)spiro[3.4]octan-2-amine

2-(3-nitrophenyl)spiro[3.4]octan-2-amine (PubChem CID 103194024) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 2-(3-nitrophenyl)spiro[3.4]octan-2-amine.

Molecular Properties

Compound Name2-(3-nitrophenyl)spiro[3.4]octan-2-amine
PubChem CID103194024
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name2-(3-nitrophenyl)spiro[3.4]octan-2-amine
SMILESNC1(c2cccc([N+](=O)[O-])c2)CC2(CCCC2)C1
InChIInChI=1S/C14H18N2O2/c15-14(9-13(10-14)6-1-2-7-13)11-4-3-5-12(8-11)16(17)18/h3-5,8H,1-2,6-7,9-10,15H2
InChIKeyJSZMWNMNYPNTBV-UHFFFAOYSA-N
XLogP3.10
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 53.10
H-Bond Donors ≤ 51
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

2-(3-nitrophenyl)spiro[3.6]decan-2-amine
CID 103194041
2-(3-nitrophenyl)spiro[3.5]nonan-2-amine
CID 103194032
5-ethenyl-5-(3-nitrophenyl)spiro[2.3]hexane
CID 178119267
(3R)-3-(3-nitrophenyl)-3-(2,2,2-trifluoroethyl)-2-oxaspiro[4.4]nonane
CID 166442987
2-[3-(trifluoromethyl)phenyl]spiro[3.5]nonan-2-amine
CID 65007104
[1-(3-nitrophenyl)cyclopropyl]methanol
CID 131010152
5-(3-chlorophenyl)spiro[2.3]hexan-5-amine
CID 65008597
N-[[5-(3-nitrophenyl)spiro[2.3]hexane-5-carbonyl]amino]formamide
CID 171753175
cyclopropane;3-nitroaniline
CID 175468087
3-methyl-3-(3-nitrophenyl)pyrrolidine-2,5-dione
CID 43155325
1-[(3-nitrophenyl)methoxymethyl]cyclopentan-1-amine
CID 64571808
(4aR,8aS)-8a-(3-nitrophenyl)-4,4a,5,6,7,8-hexahydro-3,1-benzothiazin-2-amine
CID 59621307

Frequently Asked Questions

What is the IUPAC name of 2-(3-nitrophenyl)spiro[3.4]octan-2-amine?
The IUPAC name of 2-(3-nitrophenyl)spiro[3.4]octan-2-amine (CID 103194024) is 2-(3-nitrophenyl)spiro[3.4]octan-2-amine.
What is the SMILES notation for 2-(3-nitrophenyl)spiro[3.4]octan-2-amine?
The canonical SMILES for 2-(3-nitrophenyl)spiro[3.4]octan-2-amine is NC1(c2cccc([N+](=O)[O-])c2)CC2(CCCC2)C1.
What is the InChIKey of 2-(3-nitrophenyl)spiro[3.4]octan-2-amine?
The InChIKey is JSZMWNMNYPNTBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c15-14(9-13(10-14)6-1-2-7-13)11-4-3-5-12(8-11)16(17)18/h3-5,8H,1-2,6-7,9-10,15H2.
What are the key properties of 2-(3-nitrophenyl)spiro[3.4]octan-2-amine?
2-(3-nitrophenyl)spiro[3.4]octan-2-amine has a molecular weight of 246.31 g/mol, XLogP of 3.10, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-nitrophenyl)spiro[3.4]octan-2-amine is sourced from PubChem (CID 103194024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).