1-cyclohexyl-2-methylideneaziridine

C9H15N — CID 10510915

IUPAC1-cyclohexyl-2-methylideneaziridine
SMILESC=C1CN1C1CCCCC1
InChIInChI=1S/C9H15N/c1-8-7-10(8)9-5-3-2-4-6-9/h9H,1-7H2
InChIKeyFEXZPRHYNYLEKF-UHFFFAOYSA-N
MW137.23 g/mol
LogP2.15
Rot. Bonds1

About 1-cyclohexyl-2-methylideneaziridine

1-cyclohexyl-2-methylideneaziridine (PubChem CID 10510915) has the molecular formula C9H15N and a molecular weight of 137.23 g/mol. Its IUPAC name is 1-cyclohexyl-2-methylideneaziridine.

Molecular Properties

Compound Name1-cyclohexyl-2-methylideneaziridine
PubChem CID10510915
Molecular FormulaC9H15N
Molecular Weight137.23 g/mol
Exact Mass137.12
IUPAC Name1-cyclohexyl-2-methylideneaziridine
SMILESC=C1CN1C1CCCCC1
InChIInChI=1S/C9H15N/c1-8-7-10(8)9-5-3-2-4-6-9/h9H,1-7H2
InChIKeyFEXZPRHYNYLEKF-UHFFFAOYSA-N
XLogP2.15
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.23
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-2-methylideneaziridine?
The IUPAC name of 1-cyclohexyl-2-methylideneaziridine (CID 10510915) is 1-cyclohexyl-2-methylideneaziridine.
What is the SMILES notation for 1-cyclohexyl-2-methylideneaziridine?
The canonical SMILES for 1-cyclohexyl-2-methylideneaziridine is C=C1CN1C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-2-methylideneaziridine?
The InChIKey is FEXZPRHYNYLEKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N/c1-8-7-10(8)9-5-3-2-4-6-9/h9H,1-7H2.
What are the key properties of 1-cyclohexyl-2-methylideneaziridine?
1-cyclohexyl-2-methylideneaziridine has a molecular weight of 137.23 g/mol, XLogP of 2.15, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2-methylideneaziridine is sourced from PubChem (CID 10510915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).