trans-(1S,2S)-2-(2-azidoethyl)-1-ethyl-1-methylcyclopropane

C8H15N3 — CID 59093091

IUPACtrans-(1S,2S)-2-(2-azidoethyl)-1-ethyl-1-methylcyclopropane
SMILESCC[C@@]1(C)C[C@H]1CCN=[N+]=[N-]
InChIInChI=1S/C8H15N3/c1-3-8(2)6-7(8)4-5-10-11-9/h7H,3-6H2,1-2H3/t7-,8+/m1/s1
InChIKeyIYGKTNQWQYYORT-SFYZADRCSA-N
MW153.23 g/mol
LogP3.12
Rot. Bonds4

About trans-(1S,2S)-2-(2-azidoethyl)-1-ethyl-1-methylcyclopropane

trans-(1S,2S)-2-(2-azidoethyl)-1-ethyl-1-methylcyclopropane (PubChem CID 59093091) has the molecular formula C8H15N3 and a molecular weight of 153.23 g/mol. Its IUPAC name is trans-(1S,2S)-2-(2-azidoethyl)-1-ethyl-1-methylcyclopropane.

Molecular Properties

Compound Nametrans-(1S,2S)-2-(2-azidoethyl)-1-ethyl-1-methylcyclopropane
PubChem CID59093091
Molecular FormulaC8H15N3
Molecular Weight153.23 g/mol
Exact Mass153.13
IUPAC Nametrans-(1S,2S)-2-(2-azidoethyl)-1-ethyl-1-methylcyclopropane
SMILESCC[C@@]1(C)C[C@H]1CCN=[N+]=[N-]
InChIInChI=1S/C8H15N3/c1-3-8(2)6-7(8)4-5-10-11-9/h7H,3-6H2,1-2H3/t7-,8+/m1/s1
InChIKeyIYGKTNQWQYYORT-SFYZADRCSA-N
XLogP3.12
TPSA48.76 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.23
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

Analyze trans-(1S,2S)-2-(2-azidoethyl)-1-ethyl-1-methylcyclopropane 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 trans-(1S,2S)-2-(2-azidoethyl)-1-ethyl-1-methylcyclopropane?
The IUPAC name of trans-(1S,2S)-2-(2-azidoethyl)-1-ethyl-1-methylcyclopropane (CID 59093091) is trans-(1S,2S)-2-(2-azidoethyl)-1-ethyl-1-methylcyclopropane.
What is the SMILES notation for trans-(1S,2S)-2-(2-azidoethyl)-1-ethyl-1-methylcyclopropane?
The canonical SMILES for trans-(1S,2S)-2-(2-azidoethyl)-1-ethyl-1-methylcyclopropane is CC[C@@]1(C)C[C@H]1CCN=[N+]=[N-].
What is the InChIKey of trans-(1S,2S)-2-(2-azidoethyl)-1-ethyl-1-methylcyclopropane?
The InChIKey is IYGKTNQWQYYORT-SFYZADRCSA-N. The full InChI is InChI=1S/C8H15N3/c1-3-8(2)6-7(8)4-5-10-11-9/h7H,3-6H2,1-2H3/t7-,8+/m1/s1.
What are the key properties of trans-(1S,2S)-2-(2-azidoethyl)-1-ethyl-1-methylcyclopropane?
trans-(1S,2S)-2-(2-azidoethyl)-1-ethyl-1-methylcyclopropane has a molecular weight of 153.23 g/mol, XLogP of 3.12, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-2-(2-azidoethyl)-1-ethyl-1-methylcyclopropane is sourced from PubChem (CID 59093091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).