4-methyl-4-(3-methylbutyl)azetidin-2-one

C9H17NO — CID 64666195

IUPAC4-methyl-4-(3-methylbutyl)azetidin-2-one
SMILESCC(C)CCC1(C)CC(=O)N1
InChIInChI=1S/C9H17NO/c1-7(2)4-5-9(3)6-8(11)10-9/h7H,4-6H2,1-3H3,(H,10,11)
InChIKeyJRSWSHQDCCHXTG-UHFFFAOYSA-N
MW155.24 g/mol
LogP1.70
Rot. Bonds3

About 4-methyl-4-(3-methylbutyl)azetidin-2-one

4-methyl-4-(3-methylbutyl)azetidin-2-one (PubChem CID 64666195) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is 4-methyl-4-(3-methylbutyl)azetidin-2-one.

Molecular Properties

Compound Name4-methyl-4-(3-methylbutyl)azetidin-2-one
PubChem CID64666195
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name4-methyl-4-(3-methylbutyl)azetidin-2-one
SMILESCC(C)CCC1(C)CC(=O)N1
InChIInChI=1S/C9H17NO/c1-7(2)4-5-9(3)6-8(11)10-9/h7H,4-6H2,1-3H3,(H,10,11)
InChIKeyJRSWSHQDCCHXTG-UHFFFAOYSA-N
XLogP1.70
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-4-(3-methylbutyl)azetidin-2-one?
The IUPAC name of 4-methyl-4-(3-methylbutyl)azetidin-2-one (CID 64666195) is 4-methyl-4-(3-methylbutyl)azetidin-2-one.
What is the SMILES notation for 4-methyl-4-(3-methylbutyl)azetidin-2-one?
The canonical SMILES for 4-methyl-4-(3-methylbutyl)azetidin-2-one is CC(C)CCC1(C)CC(=O)N1.
What is the InChIKey of 4-methyl-4-(3-methylbutyl)azetidin-2-one?
The InChIKey is JRSWSHQDCCHXTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-7(2)4-5-9(3)6-8(11)10-9/h7H,4-6H2,1-3H3,(H,10,11).
What are the key properties of 4-methyl-4-(3-methylbutyl)azetidin-2-one?
4-methyl-4-(3-methylbutyl)azetidin-2-one has a molecular weight of 155.24 g/mol, XLogP of 1.70, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-4-(3-methylbutyl)azetidin-2-one is sourced from PubChem (CID 64666195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).