2-[(Z)-pent-1-enyl]-1-tritylaziridine

C26H27N — CID 10618076

IUPAC2-[(Z)-pent-1-enyl]-1-tritylaziridine
SMILESCCC/C=C\C1CN1C(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H27N/c1-2-3-7-20-25-21-27(25)26(22-14-8-4-9-15-22,23-16-10-5-11-17-23)24-18-12-6-13-19-24/h4-20,25H,2-3,21H2,1H3/b20-7-
InChIKeyPZCMQANPCNSKBA-SCDVKCJHSA-N
MW353.51 g/mol
LogP6.02
Rot. Bonds7

About 2-[(Z)-pent-1-enyl]-1-tritylaziridine

2-[(Z)-pent-1-enyl]-1-tritylaziridine (PubChem CID 10618076) has the molecular formula C26H27N and a molecular weight of 353.51 g/mol. Its IUPAC name is 2-[(Z)-pent-1-enyl]-1-tritylaziridine.

Molecular Properties

Compound Name2-[(Z)-pent-1-enyl]-1-tritylaziridine
PubChem CID10618076
Molecular FormulaC26H27N
Molecular Weight353.51 g/mol
Exact Mass353.21
IUPAC Name2-[(Z)-pent-1-enyl]-1-tritylaziridine
SMILESCCC/C=C\C1CN1C(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H27N/c1-2-3-7-20-25-21-27(25)26(22-14-8-4-9-15-22,23-16-10-5-11-17-23)24-18-12-6-13-19-24/h4-20,25H,2-3,21H2,1H3/b20-7-
InChIKeyPZCMQANPCNSKBA-SCDVKCJHSA-N
XLogP6.02
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.51
LogP ≤ 56.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-[(Z)-pent-1-enyl]-1-tritylaziridine 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 2-[(Z)-pent-1-enyl]-1-tritylaziridine?
The IUPAC name of 2-[(Z)-pent-1-enyl]-1-tritylaziridine (CID 10618076) is 2-[(Z)-pent-1-enyl]-1-tritylaziridine.
What is the SMILES notation for 2-[(Z)-pent-1-enyl]-1-tritylaziridine?
The canonical SMILES for 2-[(Z)-pent-1-enyl]-1-tritylaziridine is CCC/C=C\C1CN1C(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-[(Z)-pent-1-enyl]-1-tritylaziridine?
The InChIKey is PZCMQANPCNSKBA-SCDVKCJHSA-N. The full InChI is InChI=1S/C26H27N/c1-2-3-7-20-25-21-27(25)26(22-14-8-4-9-15-22,23-16-10-5-11-17-23)24-18-12-6-13-19-24/h4-20,25H,2-3,21H2,1H3/b20-7-.
What are the key properties of 2-[(Z)-pent-1-enyl]-1-tritylaziridine?
2-[(Z)-pent-1-enyl]-1-tritylaziridine has a molecular weight of 353.51 g/mol, XLogP of 6.02, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-pent-1-enyl]-1-tritylaziridine is sourced from PubChem (CID 10618076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).