2-(3-nitrophenyl)oxolan-3-amine

C10H12N2O3 — CID 79365956

IUPAC2-(3-nitrophenyl)oxolan-3-amine
SMILESNC1CCOC1c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C10H12N2O3/c11-9-4-5-15-10(9)7-2-1-3-8(6-7)12(13)14/h1-3,6,9-10H,4-5,11H2
InChIKeyLELMFKIGOUHHAN-UHFFFAOYSA-N
MW208.22 g/mol
LogP1.38
Rot. Bonds2

About 2-(3-nitrophenyl)oxolan-3-amine

2-(3-nitrophenyl)oxolan-3-amine (PubChem CID 79365956) has the molecular formula C10H12N2O3 and a molecular weight of 208.22 g/mol. Its IUPAC name is 2-(3-nitrophenyl)oxolan-3-amine.

Molecular Properties

Compound Name2-(3-nitrophenyl)oxolan-3-amine
PubChem CID79365956
Molecular FormulaC10H12N2O3
Molecular Weight208.22 g/mol
Exact Mass208.08
IUPAC Name2-(3-nitrophenyl)oxolan-3-amine
SMILESNC1CCOC1c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C10H12N2O3/c11-9-4-5-15-10(9)7-2-1-3-8(6-7)12(13)14/h1-3,6,9-10H,4-5,11H2
InChIKeyLELMFKIGOUHHAN-UHFFFAOYSA-N
XLogP1.38
TPSA78.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 51.38
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'}

Analyze 2-(3-nitrophenyl)oxolan-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3-nitrophenyl)oxolane-3-carboxylic acid
CID 79368403
(2S,4R)-4-methyl-2-(3-nitrophenyl)-1,3-dioxane
CID 786807
2-(3-chlorophenyl)oxolan-3-amine
CID 79364588
5-(3-nitrophenyl)-1,3-diazinane-2,4,6-trione
CID 143152794
(3-nitrophenyl)cycloheptane
CID 142001294
2,2-dimethyl-3-(3-nitrophenyl)cyclobutan-1-amine
CID 81415405
(4R,5R)-5-bromo-4-(3-nitrophenyl)-1,3-dioxane
CID 10803249
2-(3-nitrophenyl)-1,3-dioxole
CID 141349380
2-(3-nitrophenyl)-2,4,4a,5,6,7,8,8a-octahydro-1H-benzo[d][1,3]oxazine
CID 592203
2-[3-(difluoromethyl)phenyl]oxolan-3-amine
CID 115530352
3-(3-nitrophenyl)-(1,2-15N2)3H-diazirine
CID 164713943
2-cyclopropyl-N-[(3-nitrophenyl)methyl]oxolan-3-amine
CID 103864594

Frequently Asked Questions

What is the IUPAC name of 2-(3-nitrophenyl)oxolan-3-amine?
The IUPAC name of 2-(3-nitrophenyl)oxolan-3-amine (CID 79365956) is 2-(3-nitrophenyl)oxolan-3-amine.
What is the SMILES notation for 2-(3-nitrophenyl)oxolan-3-amine?
The canonical SMILES for 2-(3-nitrophenyl)oxolan-3-amine is NC1CCOC1c1cccc([N+](=O)[O-])c1.
What is the InChIKey of 2-(3-nitrophenyl)oxolan-3-amine?
The InChIKey is LELMFKIGOUHHAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O3/c11-9-4-5-15-10(9)7-2-1-3-8(6-7)12(13)14/h1-3,6,9-10H,4-5,11H2.
What are the key properties of 2-(3-nitrophenyl)oxolan-3-amine?
2-(3-nitrophenyl)oxolan-3-amine has a molecular weight of 208.22 g/mol, XLogP of 1.38, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-nitrophenyl)oxolan-3-amine is sourced from PubChem (CID 79365956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).