2-(3-methylcyclohex-2-en-1-yl)aziridine

C9H15N — CID 163662650

IUPAC2-(3-methylcyclohex-2-en-1-yl)aziridine
SMILESCC1=CC(C2CN2)CCC1
InChIInChI=1S/C9H15N/c1-7-3-2-4-8(5-7)9-6-10-9/h5,8-10H,2-4,6H2,1H3
InChIKeyIVSFXSPSOPDKDG-UHFFFAOYSA-N
MW137.23 g/mol
LogP1.70
Rot. Bonds1

About 2-(3-methylcyclohex-2-en-1-yl)aziridine

2-(3-methylcyclohex-2-en-1-yl)aziridine (PubChem CID 163662650) has the molecular formula C9H15N and a molecular weight of 137.23 g/mol. Its IUPAC name is 2-(3-methylcyclohex-2-en-1-yl)aziridine.

Molecular Properties

Compound Name2-(3-methylcyclohex-2-en-1-yl)aziridine
PubChem CID163662650
Molecular FormulaC9H15N
Molecular Weight137.23 g/mol
Exact Mass137.12
IUPAC Name2-(3-methylcyclohex-2-en-1-yl)aziridine
SMILESCC1=CC(C2CN2)CCC1
InChIInChI=1S/C9H15N/c1-7-3-2-4-8(5-7)9-6-10-9/h5,8-10H,2-4,6H2,1H3
InChIKeyIVSFXSPSOPDKDG-UHFFFAOYSA-N
XLogP1.70
TPSA21.94 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
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-(3-methylcyclohex-2-en-1-yl)aziridine?
The IUPAC name of 2-(3-methylcyclohex-2-en-1-yl)aziridine (CID 163662650) is 2-(3-methylcyclohex-2-en-1-yl)aziridine.
What is the SMILES notation for 2-(3-methylcyclohex-2-en-1-yl)aziridine?
The canonical SMILES for 2-(3-methylcyclohex-2-en-1-yl)aziridine is CC1=CC(C2CN2)CCC1.
What is the InChIKey of 2-(3-methylcyclohex-2-en-1-yl)aziridine?
The InChIKey is IVSFXSPSOPDKDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N/c1-7-3-2-4-8(5-7)9-6-10-9/h5,8-10H,2-4,6H2,1H3.
What are the key properties of 2-(3-methylcyclohex-2-en-1-yl)aziridine?
2-(3-methylcyclohex-2-en-1-yl)aziridine has a molecular weight of 137.23 g/mol, XLogP of 1.70, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylcyclohex-2-en-1-yl)aziridine is sourced from PubChem (CID 163662650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).