1-(3-tert-butylazetidin-1-yl)-2-methylpropan-1-one

C11H21NO — CID 58394647

IUPAC1-(3-tert-butylazetidin-1-yl)-2-methylpropan-1-one
SMILESCC(C)C(=O)N1CC(C(C)(C)C)C1
InChIInChI=1S/C11H21NO/c1-8(2)10(13)12-6-9(7-12)11(3,4)5/h8-9H,6-7H2,1-5H3
InChIKeyMMVSAGQOWQOBBW-UHFFFAOYSA-N
MW183.29 g/mol
LogP2.15
Rot. Bonds1

About 1-(3-tert-butylazetidin-1-yl)-2-methylpropan-1-one

1-(3-tert-butylazetidin-1-yl)-2-methylpropan-1-one (PubChem CID 58394647) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 1-(3-tert-butylazetidin-1-yl)-2-methylpropan-1-one.

Molecular Properties

Compound Name1-(3-tert-butylazetidin-1-yl)-2-methylpropan-1-one
PubChem CID58394647
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name1-(3-tert-butylazetidin-1-yl)-2-methylpropan-1-one
SMILESCC(C)C(=O)N1CC(C(C)(C)C)C1
InChIInChI=1S/C11H21NO/c1-8(2)10(13)12-6-9(7-12)11(3,4)5/h8-9H,6-7H2,1-5H3
InChIKeyMMVSAGQOWQOBBW-UHFFFAOYSA-N
XLogP2.15
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(3-tert-butylazetidin-1-yl)-2-methylpropan-1-one?
The IUPAC name of 1-(3-tert-butylazetidin-1-yl)-2-methylpropan-1-one (CID 58394647) is 1-(3-tert-butylazetidin-1-yl)-2-methylpropan-1-one.
What is the SMILES notation for 1-(3-tert-butylazetidin-1-yl)-2-methylpropan-1-one?
The canonical SMILES for 1-(3-tert-butylazetidin-1-yl)-2-methylpropan-1-one is CC(C)C(=O)N1CC(C(C)(C)C)C1.
What is the InChIKey of 1-(3-tert-butylazetidin-1-yl)-2-methylpropan-1-one?
The InChIKey is MMVSAGQOWQOBBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-8(2)10(13)12-6-9(7-12)11(3,4)5/h8-9H,6-7H2,1-5H3.
What are the key properties of 1-(3-tert-butylazetidin-1-yl)-2-methylpropan-1-one?
1-(3-tert-butylazetidin-1-yl)-2-methylpropan-1-one has a molecular weight of 183.29 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-(3-tert-butylazetidin-1-yl)-2-methylpropan-1-one is sourced from PubChem (CID 58394647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).