azetidin-1-yl-(2-methyl-2-propan-2-ylcyclopropyl)methanone

C11H19NO — CID 130718788

IUPACazetidin-1-yl-(2-methyl-2-propan-2-ylcyclopropyl)methanone
SMILESCC(C)C1(C)CC1C(=O)N1CCC1
InChIInChI=1S/C11H19NO/c1-8(2)11(3)7-9(11)10(13)12-5-4-6-12/h8-9H,4-7H2,1-3H3
InChIKeyWRJMIWBVMBWLDO-UHFFFAOYSA-N
MW181.28 g/mol
LogP1.90
Rot. Bonds2

About azetidin-1-yl-(2-methyl-2-propan-2-ylcyclopropyl)methanone

azetidin-1-yl-(2-methyl-2-propan-2-ylcyclopropyl)methanone (PubChem CID 130718788) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is azetidin-1-yl-(2-methyl-2-propan-2-ylcyclopropyl)methanone.

Molecular Properties

Compound Nameazetidin-1-yl-(2-methyl-2-propan-2-ylcyclopropyl)methanone
PubChem CID130718788
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Nameazetidin-1-yl-(2-methyl-2-propan-2-ylcyclopropyl)methanone
SMILESCC(C)C1(C)CC1C(=O)N1CCC1
InChIInChI=1S/C11H19NO/c1-8(2)11(3)7-9(11)10(13)12-5-4-6-12/h8-9H,4-7H2,1-3H3
InChIKeyWRJMIWBVMBWLDO-UHFFFAOYSA-N
XLogP1.90
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of azetidin-1-yl-(2-methyl-2-propan-2-ylcyclopropyl)methanone?
The IUPAC name of azetidin-1-yl-(2-methyl-2-propan-2-ylcyclopropyl)methanone (CID 130718788) is azetidin-1-yl-(2-methyl-2-propan-2-ylcyclopropyl)methanone.
What is the SMILES notation for azetidin-1-yl-(2-methyl-2-propan-2-ylcyclopropyl)methanone?
The canonical SMILES for azetidin-1-yl-(2-methyl-2-propan-2-ylcyclopropyl)methanone is CC(C)C1(C)CC1C(=O)N1CCC1.
What is the InChIKey of azetidin-1-yl-(2-methyl-2-propan-2-ylcyclopropyl)methanone?
The InChIKey is WRJMIWBVMBWLDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c1-8(2)11(3)7-9(11)10(13)12-5-4-6-12/h8-9H,4-7H2,1-3H3.
What are the key properties of azetidin-1-yl-(2-methyl-2-propan-2-ylcyclopropyl)methanone?
azetidin-1-yl-(2-methyl-2-propan-2-ylcyclopropyl)methanone has a molecular weight of 181.28 g/mol, XLogP of 1.90, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for azetidin-1-yl-(2-methyl-2-propan-2-ylcyclopropyl)methanone is sourced from PubChem (CID 130718788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).