azetidin-1-yl-(2,2-dichloro-1-methylcyclopropyl)methanone

C8H11Cl2NO — CID 78819830

IUPACazetidin-1-yl-(2,2-dichloro-1-methylcyclopropyl)methanone
SMILESCC1(C(=O)N2CCC2)CC1(Cl)Cl
InChIInChI=1S/C8H11Cl2NO/c1-7(5-8(7,9)10)6(12)11-3-2-4-11/h2-5H2,1H3
InChIKeyRTMMKRKXGRHOLF-UHFFFAOYSA-N
MW208.09 g/mol
LogP1.80
Rot. Bonds1

About azetidin-1-yl-(2,2-dichloro-1-methylcyclopropyl)methanone

azetidin-1-yl-(2,2-dichloro-1-methylcyclopropyl)methanone (PubChem CID 78819830) has the molecular formula C8H11Cl2NO and a molecular weight of 208.09 g/mol. Its IUPAC name is azetidin-1-yl-(2,2-dichloro-1-methylcyclopropyl)methanone.

Molecular Properties

Compound Nameazetidin-1-yl-(2,2-dichloro-1-methylcyclopropyl)methanone
PubChem CID78819830
Molecular FormulaC8H11Cl2NO
Molecular Weight208.09 g/mol
Exact Mass207.02
IUPAC Nameazetidin-1-yl-(2,2-dichloro-1-methylcyclopropyl)methanone
SMILESCC1(C(=O)N2CCC2)CC1(Cl)Cl
InChIInChI=1S/C8H11Cl2NO/c1-7(5-8(7,9)10)6(12)11-3-2-4-11/h2-5H2,1H3
InChIKeyRTMMKRKXGRHOLF-UHFFFAOYSA-N
XLogP1.80
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.09
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of azetidin-1-yl-(2,2-dichloro-1-methylcyclopropyl)methanone?
The IUPAC name of azetidin-1-yl-(2,2-dichloro-1-methylcyclopropyl)methanone (CID 78819830) is azetidin-1-yl-(2,2-dichloro-1-methylcyclopropyl)methanone.
What is the SMILES notation for azetidin-1-yl-(2,2-dichloro-1-methylcyclopropyl)methanone?
The canonical SMILES for azetidin-1-yl-(2,2-dichloro-1-methylcyclopropyl)methanone is CC1(C(=O)N2CCC2)CC1(Cl)Cl.
What is the InChIKey of azetidin-1-yl-(2,2-dichloro-1-methylcyclopropyl)methanone?
The InChIKey is RTMMKRKXGRHOLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11Cl2NO/c1-7(5-8(7,9)10)6(12)11-3-2-4-11/h2-5H2,1H3.
What are the key properties of azetidin-1-yl-(2,2-dichloro-1-methylcyclopropyl)methanone?
azetidin-1-yl-(2,2-dichloro-1-methylcyclopropyl)methanone has a molecular weight of 208.09 g/mol, XLogP of 1.80, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for azetidin-1-yl-(2,2-dichloro-1-methylcyclopropyl)methanone is sourced from PubChem (CID 78819830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).