2-(cyclohex-3-en-1-ylmethyl)aziridine

C9H15N — CID 89298763

IUPAC2-(cyclohex-3-en-1-ylmethyl)aziridine
SMILESC1=CCC(CC2CN2)CC1
InChIInChI=1S/C9H15N/c1-2-4-8(5-3-1)6-9-7-10-9/h1-2,8-10H,3-7H2
InChIKeyLTXCXUFYVQHHFU-UHFFFAOYSA-N
MW137.23 g/mol
LogP1.70
Rot. Bonds2

About 2-(cyclohex-3-en-1-ylmethyl)aziridine

2-(cyclohex-3-en-1-ylmethyl)aziridine (PubChem CID 89298763) has the molecular formula C9H15N and a molecular weight of 137.23 g/mol. Its IUPAC name is 2-(cyclohex-3-en-1-ylmethyl)aziridine.

Molecular Properties

Compound Name2-(cyclohex-3-en-1-ylmethyl)aziridine
PubChem CID89298763
Molecular FormulaC9H15N
Molecular Weight137.23 g/mol
Exact Mass137.12
IUPAC Name2-(cyclohex-3-en-1-ylmethyl)aziridine
SMILESC1=CCC(CC2CN2)CC1
InChIInChI=1S/C9H15N/c1-2-4-8(5-3-1)6-9-7-10-9/h1-2,8-10H,3-7H2
InChIKeyLTXCXUFYVQHHFU-UHFFFAOYSA-N
XLogP1.70
TPSA21.94 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.23
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclohex-3-en-1-ylmethyl)aziridine?
The IUPAC name of 2-(cyclohex-3-en-1-ylmethyl)aziridine (CID 89298763) is 2-(cyclohex-3-en-1-ylmethyl)aziridine.
What is the SMILES notation for 2-(cyclohex-3-en-1-ylmethyl)aziridine?
The canonical SMILES for 2-(cyclohex-3-en-1-ylmethyl)aziridine is C1=CCC(CC2CN2)CC1.
What is the InChIKey of 2-(cyclohex-3-en-1-ylmethyl)aziridine?
The InChIKey is LTXCXUFYVQHHFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N/c1-2-4-8(5-3-1)6-9-7-10-9/h1-2,8-10H,3-7H2.
What are the key properties of 2-(cyclohex-3-en-1-ylmethyl)aziridine?
2-(cyclohex-3-en-1-ylmethyl)aziridine has a molecular weight of 137.23 g/mol, XLogP of 1.70, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohex-3-en-1-ylmethyl)aziridine is sourced from PubChem (CID 89298763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).