N-(1-benzyl-2-methylpyrrolidin-3-ylidene)hydroxylamine

C12H16N2O — CID 53407179

IUPACN-(1-benzyl-2-methylpyrrolidin-3-ylidene)hydroxylamine
SMILESCC1C(=NO)CCN1Cc1ccccc1
InChIInChI=1S/C12H16N2O/c1-10-12(13-15)7-8-14(10)9-11-5-3-2-4-6-11/h2-6,10,15H,7-9H2,1H3
InChIKeyQYXRREXPAUULFK-UHFFFAOYSA-N
MW204.27 g/mol
LogP2.11
Rot. Bonds2

About N-(1-benzyl-2-methylpyrrolidin-3-ylidene)hydroxylamine

N-(1-benzyl-2-methylpyrrolidin-3-ylidene)hydroxylamine (PubChem CID 53407179) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is N-(1-benzyl-2-methylpyrrolidin-3-ylidene)hydroxylamine.

Molecular Properties

Compound NameN-(1-benzyl-2-methylpyrrolidin-3-ylidene)hydroxylamine
PubChem CID53407179
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC NameN-(1-benzyl-2-methylpyrrolidin-3-ylidene)hydroxylamine
SMILESCC1C(=NO)CCN1Cc1ccccc1
InChIInChI=1S/C12H16N2O/c1-10-12(13-15)7-8-14(10)9-11-5-3-2-4-6-11/h2-6,10,15H,7-9H2,1H3
InChIKeyQYXRREXPAUULFK-UHFFFAOYSA-N
XLogP2.11
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 52.11
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'}

Analyze N-(1-benzyl-2-methylpyrrolidin-3-ylidene)hydroxylamine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(1-benzyl-2-methylpyrrolidin-3-ylidene)hydroxylamine?
The IUPAC name of N-(1-benzyl-2-methylpyrrolidin-3-ylidene)hydroxylamine (CID 53407179) is N-(1-benzyl-2-methylpyrrolidin-3-ylidene)hydroxylamine.
What is the SMILES notation for N-(1-benzyl-2-methylpyrrolidin-3-ylidene)hydroxylamine?
The canonical SMILES for N-(1-benzyl-2-methylpyrrolidin-3-ylidene)hydroxylamine is CC1C(=NO)CCN1Cc1ccccc1.
What is the InChIKey of N-(1-benzyl-2-methylpyrrolidin-3-ylidene)hydroxylamine?
The InChIKey is QYXRREXPAUULFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O/c1-10-12(13-15)7-8-14(10)9-11-5-3-2-4-6-11/h2-6,10,15H,7-9H2,1H3.
What are the key properties of N-(1-benzyl-2-methylpyrrolidin-3-ylidene)hydroxylamine?
N-(1-benzyl-2-methylpyrrolidin-3-ylidene)hydroxylamine has a molecular weight of 204.27 g/mol, XLogP of 2.11, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzyl-2-methylpyrrolidin-3-ylidene)hydroxylamine is sourced from PubChem (CID 53407179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).