3-methyl-1-(1-propan-2-ylazetidin-3-yl)butan-2-one

C11H21NO — CID 147367258

IUPAC3-methyl-1-(1-propan-2-ylazetidin-3-yl)butan-2-one
SMILESCC(C)C(=O)CC1CN(C(C)C)C1
InChIInChI=1S/C11H21NO/c1-8(2)11(13)5-10-6-12(7-10)9(3)4/h8-10H,5-7H2,1-4H3
InChIKeyDIKLBHDCXJQNFK-UHFFFAOYSA-N
MW183.29 g/mol
LogP1.94
Rot. Bonds4

About 3-methyl-1-(1-propan-2-ylazetidin-3-yl)butan-2-one

3-methyl-1-(1-propan-2-ylazetidin-3-yl)butan-2-one (PubChem CID 147367258) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 3-methyl-1-(1-propan-2-ylazetidin-3-yl)butan-2-one.

Molecular Properties

Compound Name3-methyl-1-(1-propan-2-ylazetidin-3-yl)butan-2-one
PubChem CID147367258
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name3-methyl-1-(1-propan-2-ylazetidin-3-yl)butan-2-one
SMILESCC(C)C(=O)CC1CN(C(C)C)C1
InChIInChI=1S/C11H21NO/c1-8(2)11(13)5-10-6-12(7-10)9(3)4/h8-10H,5-7H2,1-4H3
InChIKeyDIKLBHDCXJQNFK-UHFFFAOYSA-N
XLogP1.94
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-bicyclo[1.1.1]pentanyl)-2-(1-propan-2-ylazetidin-3-yl)ethanone
CID 153081058
1-phenyl-3-(1-propan-2-ylazetidin-3-yl)propan-2-one
CID 161251993
3-methyl-1-(3-methylcyclobutyl)butan-2-one
CID 157464694
ethane;(1-propan-2-ylazetidin-3-yl)methanol
CID 156813140
1-(3-fluorocyclobutyl)-3-methylbutan-2-one
CID 158355329
N-[(1-propan-2-ylazetidin-3-yl)methyl]acetamide
CID 90251686
3-methyl-1-(1-methyliodanuidylpiperidin-4-yl)butan-2-one
CID 172604494
3-methyl-1-[4-(2-methylpropyl)cyclohexyl]butan-2-one
CID 153444618
1-(3-methoxycyclobutyl)-3-methylbutan-2-one
CID 159895021
2-[5-(methylamino)-1-propan-2-ylpiperidin-3-yl]acetic acid
CID 83989664
3-methyl-1-[1-(2-methylpropyl)piperidin-4-yl]butan-2-one
CID 153390625
3-(fluoromethyl)-1-propan-2-ylazetidine
CID 118375071

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(1-propan-2-ylazetidin-3-yl)butan-2-one?
The IUPAC name of 3-methyl-1-(1-propan-2-ylazetidin-3-yl)butan-2-one (CID 147367258) is 3-methyl-1-(1-propan-2-ylazetidin-3-yl)butan-2-one.
What is the SMILES notation for 3-methyl-1-(1-propan-2-ylazetidin-3-yl)butan-2-one?
The canonical SMILES for 3-methyl-1-(1-propan-2-ylazetidin-3-yl)butan-2-one is CC(C)C(=O)CC1CN(C(C)C)C1.
What is the InChIKey of 3-methyl-1-(1-propan-2-ylazetidin-3-yl)butan-2-one?
The InChIKey is DIKLBHDCXJQNFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-8(2)11(13)5-10-6-12(7-10)9(3)4/h8-10H,5-7H2,1-4H3.
What are the key properties of 3-methyl-1-(1-propan-2-ylazetidin-3-yl)butan-2-one?
3-methyl-1-(1-propan-2-ylazetidin-3-yl)butan-2-one has a molecular weight of 183.29 g/mol, XLogP of 1.94, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(1-propan-2-ylazetidin-3-yl)butan-2-one is sourced from PubChem (CID 147367258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).