1-(3-hydroxyazetidin-1-yl)hept-6-yn-1-one

C10H15NO2 — CID 103909260

IUPAC1-(3-hydroxyazetidin-1-yl)hept-6-yn-1-one
SMILESC#CCCCCC(=O)N1CC(O)C1
InChIInChI=1S/C10H15NO2/c1-2-3-4-5-6-10(13)11-7-9(12)8-11/h1,9,12H,3-8H2
InChIKeyNALMGKLWXXRWJL-UHFFFAOYSA-N
MW181.23 g/mol
LogP0.38
Rot. Bonds4

About 1-(3-hydroxyazetidin-1-yl)hept-6-yn-1-one

1-(3-hydroxyazetidin-1-yl)hept-6-yn-1-one (PubChem CID 103909260) has the molecular formula C10H15NO2 and a molecular weight of 181.23 g/mol. Its IUPAC name is 1-(3-hydroxyazetidin-1-yl)hept-6-yn-1-one.

Molecular Properties

Compound Name1-(3-hydroxyazetidin-1-yl)hept-6-yn-1-one
PubChem CID103909260
Molecular FormulaC10H15NO2
Molecular Weight181.23 g/mol
Exact Mass181.11
IUPAC Name1-(3-hydroxyazetidin-1-yl)hept-6-yn-1-one
SMILESC#CCCCCC(=O)N1CC(O)C1
InChIInChI=1S/C10H15NO2/c1-2-3-4-5-6-10(13)11-7-9(12)8-11/h1,9,12H,3-8H2
InChIKeyNALMGKLWXXRWJL-UHFFFAOYSA-N
XLogP0.38
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 1-(3-hydroxyazetidin-1-yl)hept-6-yn-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

1-(3-hydroxyazetidin-1-yl)nonan-1-one
CID 63105492
1-(3-hydroxyazetidin-1-yl)dodecan-1-one
CID 65428081
7-amino-1-(3-hydroxyazetidin-1-yl)heptan-1-one
CID 107217559
1-(3-hydroxy-5-methylpiperidin-1-yl)pent-4-yn-1-one
CID 130987806
1-[4,4-bis(hydroxymethyl)piperidin-1-yl]hept-6-yn-1-one
CID 134168411
3-amino-1-(3-hydroxyazetidin-1-yl)propan-1-one
CID 53409663
1-[3-(dimethylamino)pyrrolidin-1-yl]hex-5-yn-1-one
CID 87057862
1-(3-hydroxy-3-methylpyrrolidin-1-yl)hept-6-yn-1-one
CID 103908950
1-(4-ethylpiperidin-1-yl)hex-5-yn-1-one
CID 89040804
2-(4-hept-6-ynoylpiperazin-1-yl)propanoic acid
CID 114028499
1-piperazin-1-ylundec-10-yn-1-one;2,2,2-trifluoroacetic acid
CID 90101929
1-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]hexan-1-one
CID 79410087

Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxyazetidin-1-yl)hept-6-yn-1-one?
The IUPAC name of 1-(3-hydroxyazetidin-1-yl)hept-6-yn-1-one (CID 103909260) is 1-(3-hydroxyazetidin-1-yl)hept-6-yn-1-one.
What is the SMILES notation for 1-(3-hydroxyazetidin-1-yl)hept-6-yn-1-one?
The canonical SMILES for 1-(3-hydroxyazetidin-1-yl)hept-6-yn-1-one is C#CCCCCC(=O)N1CC(O)C1.
What is the InChIKey of 1-(3-hydroxyazetidin-1-yl)hept-6-yn-1-one?
The InChIKey is NALMGKLWXXRWJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2/c1-2-3-4-5-6-10(13)11-7-9(12)8-11/h1,9,12H,3-8H2.
What are the key properties of 1-(3-hydroxyazetidin-1-yl)hept-6-yn-1-one?
1-(3-hydroxyazetidin-1-yl)hept-6-yn-1-one has a molecular weight of 181.23 g/mol, XLogP of 0.38, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxyazetidin-1-yl)hept-6-yn-1-one is sourced from PubChem (CID 103909260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).