(2S)-2-[(4-nitrophenyl)methyl]azetidine

C10H12N2O2 — CID 118903404

IUPAC(2S)-2-[(4-nitrophenyl)methyl]azetidine
SMILESO=[N+]([O-])c1ccc(C[C@H]2CCN2)cc1
InChIInChI=1S/C10H12N2O2/c13-12(14)10-3-1-8(2-4-10)7-9-5-6-11-9/h1-4,9,11H,5-7H2/t9-/m1/s1
InChIKeyAPQPMWPZVYYFBR-SECBINFHSA-N
MW192.22 g/mol
LogP1.50
Rot. Bonds3

About (2S)-2-[(4-nitrophenyl)methyl]azetidine

(2S)-2-[(4-nitrophenyl)methyl]azetidine (PubChem CID 118903404) has the molecular formula C10H12N2O2 and a molecular weight of 192.22 g/mol. Its IUPAC name is (2S)-2-[(4-nitrophenyl)methyl]azetidine.

Molecular Properties

Compound Name(2S)-2-[(4-nitrophenyl)methyl]azetidine
PubChem CID118903404
Molecular FormulaC10H12N2O2
Molecular Weight192.22 g/mol
Exact Mass192.09
IUPAC Name(2S)-2-[(4-nitrophenyl)methyl]azetidine
SMILESO=[N+]([O-])c1ccc(C[C@H]2CCN2)cc1
InChIInChI=1S/C10H12N2O2/c13-12(14)10-3-1-8(2-4-10)7-9-5-6-11-9/h1-4,9,11H,5-7H2/t9-/m1/s1
InChIKeyAPQPMWPZVYYFBR-SECBINFHSA-N
XLogP1.50
TPSA55.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 51.50
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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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(4-nitrophenyl)methyl]azetidine?
The IUPAC name of (2S)-2-[(4-nitrophenyl)methyl]azetidine (CID 118903404) is (2S)-2-[(4-nitrophenyl)methyl]azetidine.
What is the SMILES notation for (2S)-2-[(4-nitrophenyl)methyl]azetidine?
The canonical SMILES for (2S)-2-[(4-nitrophenyl)methyl]azetidine is O=[N+]([O-])c1ccc(C[C@H]2CCN2)cc1.
What is the InChIKey of (2S)-2-[(4-nitrophenyl)methyl]azetidine?
The InChIKey is APQPMWPZVYYFBR-SECBINFHSA-N. The full InChI is InChI=1S/C10H12N2O2/c13-12(14)10-3-1-8(2-4-10)7-9-5-6-11-9/h1-4,9,11H,5-7H2/t9-/m1/s1.
What are the key properties of (2S)-2-[(4-nitrophenyl)methyl]azetidine?
(2S)-2-[(4-nitrophenyl)methyl]azetidine has a molecular weight of 192.22 g/mol, XLogP of 1.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(4-nitrophenyl)methyl]azetidine is sourced from PubChem (CID 118903404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).