N-(1-benzhydrylazetidin-3-ylidene)hydroxylamine

C16H16N2O — CID 3343354

IUPACN-(1-benzhydrylazetidin-3-ylidene)hydroxylamine
SMILESON=C1CN(C(c2ccccc2)c2ccccc2)C1
InChIInChI=1S/C16H16N2O/c19-17-15-11-18(12-15)16(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10,16,19H,11-12H2
InChIKeyOBKQGGQXRMGIAS-UHFFFAOYSA-N
MW252.32 g/mol
LogP2.92
Rot. Bonds3

About N-(1-benzhydrylazetidin-3-ylidene)hydroxylamine

N-(1-benzhydrylazetidin-3-ylidene)hydroxylamine (PubChem CID 3343354) has the molecular formula C16H16N2O and a molecular weight of 252.32 g/mol. Its IUPAC name is N-(1-benzhydrylazetidin-3-ylidene)hydroxylamine.

Molecular Properties

Compound NameN-(1-benzhydrylazetidin-3-ylidene)hydroxylamine
PubChem CID3343354
Molecular FormulaC16H16N2O
Molecular Weight252.32 g/mol
Exact Mass252.13
IUPAC NameN-(1-benzhydrylazetidin-3-ylidene)hydroxylamine
SMILESON=C1CN(C(c2ccccc2)c2ccccc2)C1
InChIInChI=1S/C16H16N2O/c19-17-15-11-18(12-15)16(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10,16,19H,11-12H2
InChIKeyOBKQGGQXRMGIAS-UHFFFAOYSA-N
XLogP2.92
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', '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-(1-benzhydrylazetidin-3-ylidene)hydroxylamine?
The IUPAC name of N-(1-benzhydrylazetidin-3-ylidene)hydroxylamine (CID 3343354) is N-(1-benzhydrylazetidin-3-ylidene)hydroxylamine.
What is the SMILES notation for N-(1-benzhydrylazetidin-3-ylidene)hydroxylamine?
The canonical SMILES for N-(1-benzhydrylazetidin-3-ylidene)hydroxylamine is ON=C1CN(C(c2ccccc2)c2ccccc2)C1.
What is the InChIKey of N-(1-benzhydrylazetidin-3-ylidene)hydroxylamine?
The InChIKey is OBKQGGQXRMGIAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O/c19-17-15-11-18(12-15)16(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10,16,19H,11-12H2.
What are the key properties of N-(1-benzhydrylazetidin-3-ylidene)hydroxylamine?
N-(1-benzhydrylazetidin-3-ylidene)hydroxylamine has a molecular weight of 252.32 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzhydrylazetidin-3-ylidene)hydroxylamine is sourced from PubChem (CID 3343354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).