cyclopentyl-(2-methylaziridin-1-yl)methanone

C9H15NO — CID 14770321

IUPACcyclopentyl-(2-methylaziridin-1-yl)methanone
SMILESCC1CN1C(=O)C1CCCC1
InChIInChI=1S/C9H15NO/c1-7-6-10(7)9(11)8-4-2-3-5-8/h7-8H,2-6H2,1H3
InChIKeyJJAINMBCTBTOIQ-UHFFFAOYSA-N
MW153.22 g/mol
LogP1.41
Rot. Bonds1

About cyclopentyl-(2-methylaziridin-1-yl)methanone

cyclopentyl-(2-methylaziridin-1-yl)methanone (PubChem CID 14770321) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is cyclopentyl-(2-methylaziridin-1-yl)methanone.

Molecular Properties

Compound Namecyclopentyl-(2-methylaziridin-1-yl)methanone
PubChem CID14770321
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Namecyclopentyl-(2-methylaziridin-1-yl)methanone
SMILESCC1CN1C(=O)C1CCCC1
InChIInChI=1S/C9H15NO/c1-7-6-10(7)9(11)8-4-2-3-5-8/h7-8H,2-6H2,1H3
InChIKeyJJAINMBCTBTOIQ-UHFFFAOYSA-N
XLogP1.41
TPSA20.08 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 51.41
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 cyclopentyl-(2-methylaziridin-1-yl)methanone?
The IUPAC name of cyclopentyl-(2-methylaziridin-1-yl)methanone (CID 14770321) is cyclopentyl-(2-methylaziridin-1-yl)methanone.
What is the SMILES notation for cyclopentyl-(2-methylaziridin-1-yl)methanone?
The canonical SMILES for cyclopentyl-(2-methylaziridin-1-yl)methanone is CC1CN1C(=O)C1CCCC1.
What is the InChIKey of cyclopentyl-(2-methylaziridin-1-yl)methanone?
The InChIKey is JJAINMBCTBTOIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO/c1-7-6-10(7)9(11)8-4-2-3-5-8/h7-8H,2-6H2,1H3.
What are the key properties of cyclopentyl-(2-methylaziridin-1-yl)methanone?
cyclopentyl-(2-methylaziridin-1-yl)methanone has a molecular weight of 153.22 g/mol, XLogP of 1.41, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl-(2-methylaziridin-1-yl)methanone is sourced from PubChem (CID 14770321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).