aziridin-1-yl-(4-methylidenecyclohexyl)methanone

C10H15NO — CID 91507558

IUPACaziridin-1-yl-(4-methylidenecyclohexyl)methanone
SMILESC=C1CCC(C(=O)N2CC2)CC1
InChIInChI=1S/C10H15NO/c1-8-2-4-9(5-3-8)10(12)11-6-7-11/h9H,1-7H2
InChIKeyATTYBDOIDUOVGD-UHFFFAOYSA-N
MW165.24 g/mol
LogP1.58
Rot. Bonds1

About aziridin-1-yl-(4-methylidenecyclohexyl)methanone

aziridin-1-yl-(4-methylidenecyclohexyl)methanone (PubChem CID 91507558) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is aziridin-1-yl-(4-methylidenecyclohexyl)methanone.

Molecular Properties

Compound Nameaziridin-1-yl-(4-methylidenecyclohexyl)methanone
PubChem CID91507558
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC Nameaziridin-1-yl-(4-methylidenecyclohexyl)methanone
SMILESC=C1CCC(C(=O)N2CC2)CC1
InChIInChI=1S/C10H15NO/c1-8-2-4-9(5-3-8)10(12)11-6-7-11/h9H,1-7H2
InChIKeyATTYBDOIDUOVGD-UHFFFAOYSA-N
XLogP1.58
TPSA20.08 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 51.58
H-Bond Donors ≤ 50
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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Related Compounds

(4-methylidenecyclohexyl)-piperidin-1-ylmethanone
CID 90711558
2-[1-(4-methylidenecyclohexanecarbonyl)piperidin-4-yl]acetic acid
CID 138029014
[4-(5-fluoro-2-pyridinyl)piperazin-1-yl]-(4-methylidenecyclohexyl)methanone
CID 136559926
aziridin-1-yl(cyclohexyl)methanone
CID 2309619
1-[4-[4-(4-acetylpiperazine-1-carbonyl)cyclohexanecarbonyl]piperazin-1-yl]ethanone
CID 2375184
3-methylidenecyclopentane-1-carboxylic acid
CID 18614353
cyclohexyl(piperidin-1-yl)methanone
CID 12760854
cycloheptyl(pyrrolidin-1-yl)methanone
CID 62778687
1-(3-methylidenecyclopentyl)ethanone
CID 556899
1-[4-(cyclopropanecarbonyl)piperazin-1-yl]butane-1,3-dione
CID 54876750
2-amino-1-[4-(cyclobutanecarbonyl)piperazin-1-yl]ethanone
CID 68733933
ethyl 4-(cyclopropanecarbonyl)piperazine-1-carboxylate
CID 30148055

Frequently Asked Questions

What is the IUPAC name of aziridin-1-yl-(4-methylidenecyclohexyl)methanone?
The IUPAC name of aziridin-1-yl-(4-methylidenecyclohexyl)methanone (CID 91507558) is aziridin-1-yl-(4-methylidenecyclohexyl)methanone.
What is the SMILES notation for aziridin-1-yl-(4-methylidenecyclohexyl)methanone?
The canonical SMILES for aziridin-1-yl-(4-methylidenecyclohexyl)methanone is C=C1CCC(C(=O)N2CC2)CC1.
What is the InChIKey of aziridin-1-yl-(4-methylidenecyclohexyl)methanone?
The InChIKey is ATTYBDOIDUOVGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO/c1-8-2-4-9(5-3-8)10(12)11-6-7-11/h9H,1-7H2.
What are the key properties of aziridin-1-yl-(4-methylidenecyclohexyl)methanone?
aziridin-1-yl-(4-methylidenecyclohexyl)methanone has a molecular weight of 165.24 g/mol, XLogP of 1.58, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for aziridin-1-yl-(4-methylidenecyclohexyl)methanone is sourced from PubChem (CID 91507558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).