N-(4-nitrophenyl)oxetan-3-amine

C9H10N2O3 — CID 71432725

IUPACN-(4-nitrophenyl)oxetan-3-amine
SMILESO=[N+]([O-])c1ccc(NC2COC2)cc1
InChIInChI=1S/C9H10N2O3/c12-11(13)9-3-1-7(2-4-9)10-8-5-14-6-8/h1-4,8,10H,5-6H2
InChIKeyNTCZFBXKDDWCIW-UHFFFAOYSA-N
MW194.19 g/mol
LogP1.41
Rot. Bonds3

About N-(4-nitrophenyl)oxetan-3-amine

N-(4-nitrophenyl)oxetan-3-amine (PubChem CID 71432725) has the molecular formula C9H10N2O3 and a molecular weight of 194.19 g/mol. Its IUPAC name is N-(4-nitrophenyl)oxetan-3-amine.

Molecular Properties

Compound NameN-(4-nitrophenyl)oxetan-3-amine
PubChem CID71432725
Molecular FormulaC9H10N2O3
Molecular Weight194.19 g/mol
Exact Mass194.07
IUPAC NameN-(4-nitrophenyl)oxetan-3-amine
SMILESO=[N+]([O-])c1ccc(NC2COC2)cc1
InChIInChI=1S/C9H10N2O3/c12-11(13)9-3-1-7(2-4-9)10-8-5-14-6-8/h1-4,8,10H,5-6H2
InChIKeyNTCZFBXKDDWCIW-UHFFFAOYSA-N
XLogP1.41
TPSA64.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.19
LogP ≤ 51.41
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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Frequently Asked Questions

What is the IUPAC name of N-(4-nitrophenyl)oxetan-3-amine?
The IUPAC name of N-(4-nitrophenyl)oxetan-3-amine (CID 71432725) is N-(4-nitrophenyl)oxetan-3-amine.
What is the SMILES notation for N-(4-nitrophenyl)oxetan-3-amine?
The canonical SMILES for N-(4-nitrophenyl)oxetan-3-amine is O=[N+]([O-])c1ccc(NC2COC2)cc1.
What is the InChIKey of N-(4-nitrophenyl)oxetan-3-amine?
The InChIKey is NTCZFBXKDDWCIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O3/c12-11(13)9-3-1-7(2-4-9)10-8-5-14-6-8/h1-4,8,10H,5-6H2.
What are the key properties of N-(4-nitrophenyl)oxetan-3-amine?
N-(4-nitrophenyl)oxetan-3-amine has a molecular weight of 194.19 g/mol, XLogP of 1.41, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-nitrophenyl)oxetan-3-amine is sourced from PubChem (CID 71432725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).