2-methyl-1-(1-propylazetidin-3-yl)propan-1-one

C10H19NO — CID 178037156

IUPAC2-methyl-1-(1-propylazetidin-3-yl)propan-1-one
SMILESCCCN1CC(C(=O)C(C)C)C1
InChIInChI=1S/C10H19NO/c1-4-5-11-6-9(7-11)10(12)8(2)3/h8-9H,4-7H2,1-3H3
InChIKeyVRIWOECRJNENFQ-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.55
Rot. Bonds4

About 2-methyl-1-(1-propylazetidin-3-yl)propan-1-one

2-methyl-1-(1-propylazetidin-3-yl)propan-1-one (PubChem CID 178037156) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 2-methyl-1-(1-propylazetidin-3-yl)propan-1-one.

Molecular Properties

Compound Name2-methyl-1-(1-propylazetidin-3-yl)propan-1-one
PubChem CID178037156
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name2-methyl-1-(1-propylazetidin-3-yl)propan-1-one
SMILESCCCN1CC(C(=O)C(C)C)C1
InChIInChI=1S/C10H19NO/c1-4-5-11-6-9(7-11)10(12)8(2)3/h8-9H,4-7H2,1-3H3
InChIKeyVRIWOECRJNENFQ-UHFFFAOYSA-N
XLogP1.55
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-methyl-1-(1-propylazetidin-3-yl)propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 2-[3-(2-methylpropanoyl)azetidin-1-yl]acetate
CID 155207621
5-methyl-1-propylpiperidine-3-carboxylic acid
CID 130942470
methyl 5-(3-methylbutylamino)-1-propylpiperidine-3-carboxylate
CID 83995596
ethyl 3-oxo-3-(1-propylazetidin-3-yl)propanoate
CID 59412172
ethane;1-(1-propylpyrrolidin-3-yl)ethanone
CID 91068645
propan-2-yl 1-propylpiperidine-3-carboxylate
CID 83982857
N-[5-(1-hydroxypropyl)-1-propylpiperidin-3-yl]-2-methylpropanamide
CID 112542596
(3S,4S)-3,4-dimethyl-1-propylpyrrolidine
CID 59055005
2-methyl-1-[1-(2-methylpropyl)piperidin-4-yl]propan-1-one
CID 176724060
methyl 5-(2,2-difluoroethylamino)-1-propylpiperidine-3-carboxylate
CID 83992828
1-propyl-5-(2,2,2-trifluoroethylamino)piperidine-3-carboxylic acid
CID 83992134
ethyl (3S)-1-propylpiperidine-3-carboxylate
CID 51669174

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(1-propylazetidin-3-yl)propan-1-one?
The IUPAC name of 2-methyl-1-(1-propylazetidin-3-yl)propan-1-one (CID 178037156) is 2-methyl-1-(1-propylazetidin-3-yl)propan-1-one.
What is the SMILES notation for 2-methyl-1-(1-propylazetidin-3-yl)propan-1-one?
The canonical SMILES for 2-methyl-1-(1-propylazetidin-3-yl)propan-1-one is CCCN1CC(C(=O)C(C)C)C1.
What is the InChIKey of 2-methyl-1-(1-propylazetidin-3-yl)propan-1-one?
The InChIKey is VRIWOECRJNENFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-4-5-11-6-9(7-11)10(12)8(2)3/h8-9H,4-7H2,1-3H3.
What are the key properties of 2-methyl-1-(1-propylazetidin-3-yl)propan-1-one?
2-methyl-1-(1-propylazetidin-3-yl)propan-1-one has a molecular weight of 169.27 g/mol, XLogP of 1.55, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(1-propylazetidin-3-yl)propan-1-one is sourced from PubChem (CID 178037156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).