(1-benzylaziridin-2-yl)methanol

C10H13NO — CID 3047321

IUPAC(1-benzylaziridin-2-yl)methanol
SMILESOCC1CN1Cc1ccccc1
InChIInChI=1S/C10H13NO/c12-8-10-7-11(10)6-9-4-2-1-3-5-9/h1-5,10,12H,6-8H2
InChIKeyDPBAAKVXOTVUJT-UHFFFAOYSA-N
MW163.22 g/mol
LogP0.86
Rot. Bonds3

About (1-benzylaziridin-2-yl)methanol

(1-benzylaziridin-2-yl)methanol (PubChem CID 3047321) has the molecular formula C10H13NO and a molecular weight of 163.22 g/mol. Its IUPAC name is (1-benzylaziridin-2-yl)methanol.

Molecular Properties

Compound Name(1-benzylaziridin-2-yl)methanol
PubChem CID3047321
Molecular FormulaC10H13NO
Molecular Weight163.22 g/mol
Exact Mass163.10
IUPAC Name(1-benzylaziridin-2-yl)methanol
SMILESOCC1CN1Cc1ccccc1
InChIInChI=1S/C10H13NO/c12-8-10-7-11(10)6-9-4-2-1-3-5-9/h1-5,10,12H,6-8H2
InChIKeyDPBAAKVXOTVUJT-UHFFFAOYSA-N
XLogP0.86
TPSA23.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze (1-benzylaziridin-2-yl)methanol 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 (1-benzylaziridin-2-yl)methanol?
The IUPAC name of (1-benzylaziridin-2-yl)methanol (CID 3047321) is (1-benzylaziridin-2-yl)methanol.
What is the SMILES notation for (1-benzylaziridin-2-yl)methanol?
The canonical SMILES for (1-benzylaziridin-2-yl)methanol is OCC1CN1Cc1ccccc1.
What is the InChIKey of (1-benzylaziridin-2-yl)methanol?
The InChIKey is DPBAAKVXOTVUJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO/c12-8-10-7-11(10)6-9-4-2-1-3-5-9/h1-5,10,12H,6-8H2.
What are the key properties of (1-benzylaziridin-2-yl)methanol?
(1-benzylaziridin-2-yl)methanol has a molecular weight of 163.22 g/mol, XLogP of 0.86, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-benzylaziridin-2-yl)methanol is sourced from PubChem (CID 3047321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).