1-(1-tritylaziridin-2-yl)propan-1-ol

C24H25NO — CID 163775047

IUPAC1-(1-tritylaziridin-2-yl)propan-1-ol
SMILESCCC(O)C1CN1C(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H25NO/c1-2-23(26)22-18-25(22)24(19-12-6-3-7-13-19,20-14-8-4-9-15-20)21-16-10-5-11-17-21/h3-17,22-23,26H,2,18H2,1H3
InChIKeyMJRWAGWFNMQRFU-UHFFFAOYSA-N
MW343.47 g/mol
LogP4.43
Rot. Bonds6

About 1-(1-tritylaziridin-2-yl)propan-1-ol

1-(1-tritylaziridin-2-yl)propan-1-ol (PubChem CID 163775047) has the molecular formula C24H25NO and a molecular weight of 343.47 g/mol. Its IUPAC name is 1-(1-tritylaziridin-2-yl)propan-1-ol.

Molecular Properties

Compound Name1-(1-tritylaziridin-2-yl)propan-1-ol
PubChem CID163775047
Molecular FormulaC24H25NO
Molecular Weight343.47 g/mol
Exact Mass343.19
IUPAC Name1-(1-tritylaziridin-2-yl)propan-1-ol
SMILESCCC(O)C1CN1C(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H25NO/c1-2-23(26)22-18-25(22)24(19-12-6-3-7-13-19,20-14-8-4-9-15-20)21-16-10-5-11-17-21/h3-17,22-23,26H,2,18H2,1H3
InChIKeyMJRWAGWFNMQRFU-UHFFFAOYSA-N
XLogP4.43
TPSA23.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(1-tritylaziridin-2-yl)propan-1-ol 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-(1-tritylaziridin-2-yl)propan-1-ol?
The IUPAC name of 1-(1-tritylaziridin-2-yl)propan-1-ol (CID 163775047) is 1-(1-tritylaziridin-2-yl)propan-1-ol.
What is the SMILES notation for 1-(1-tritylaziridin-2-yl)propan-1-ol?
The canonical SMILES for 1-(1-tritylaziridin-2-yl)propan-1-ol is CCC(O)C1CN1C(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 1-(1-tritylaziridin-2-yl)propan-1-ol?
The InChIKey is MJRWAGWFNMQRFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25NO/c1-2-23(26)22-18-25(22)24(19-12-6-3-7-13-19,20-14-8-4-9-15-20)21-16-10-5-11-17-21/h3-17,22-23,26H,2,18H2,1H3.
What are the key properties of 1-(1-tritylaziridin-2-yl)propan-1-ol?
1-(1-tritylaziridin-2-yl)propan-1-ol has a molecular weight of 343.47 g/mol, XLogP of 4.43, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-tritylaziridin-2-yl)propan-1-ol is sourced from PubChem (CID 163775047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).