7-amino-1-(3-hydroxyazetidin-1-yl)heptan-1-one

C10H20N2O2 — CID 107217559

IUPAC7-amino-1-(3-hydroxyazetidin-1-yl)heptan-1-one
SMILESNCCCCCCC(=O)N1CC(O)C1
InChIInChI=1S/C10H20N2O2/c11-6-4-2-1-3-5-10(14)12-7-9(13)8-12/h9,13H,1-8,11H2
InChIKeyRDSYRMAWEZDJCM-UHFFFAOYSA-N
MW200.28 g/mol
LogP0.10
Rot. Bonds6

About 7-amino-1-(3-hydroxyazetidin-1-yl)heptan-1-one

7-amino-1-(3-hydroxyazetidin-1-yl)heptan-1-one (PubChem CID 107217559) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is 7-amino-1-(3-hydroxyazetidin-1-yl)heptan-1-one.

Molecular Properties

Compound Name7-amino-1-(3-hydroxyazetidin-1-yl)heptan-1-one
PubChem CID107217559
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Name7-amino-1-(3-hydroxyazetidin-1-yl)heptan-1-one
SMILESNCCCCCCC(=O)N1CC(O)C1
InChIInChI=1S/C10H20N2O2/c11-6-4-2-1-3-5-10(14)12-7-9(13)8-12/h9,13H,1-8,11H2
InChIKeyRDSYRMAWEZDJCM-UHFFFAOYSA-N
XLogP0.10
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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1-(1,3,3a,4,5,6,7,7a-octahydro-4,7-epoxyisoindol-2-yl)-7-aminoheptan-1-one;hydrochloride
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1-(3-hydroxyazetidin-1-yl)hept-6-yn-1-one
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Frequently Asked Questions

What is the IUPAC name of 7-amino-1-(3-hydroxyazetidin-1-yl)heptan-1-one?
The IUPAC name of 7-amino-1-(3-hydroxyazetidin-1-yl)heptan-1-one (CID 107217559) is 7-amino-1-(3-hydroxyazetidin-1-yl)heptan-1-one.
What is the SMILES notation for 7-amino-1-(3-hydroxyazetidin-1-yl)heptan-1-one?
The canonical SMILES for 7-amino-1-(3-hydroxyazetidin-1-yl)heptan-1-one is NCCCCCCC(=O)N1CC(O)C1.
What is the InChIKey of 7-amino-1-(3-hydroxyazetidin-1-yl)heptan-1-one?
The InChIKey is RDSYRMAWEZDJCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2/c11-6-4-2-1-3-5-10(14)12-7-9(13)8-12/h9,13H,1-8,11H2.
What are the key properties of 7-amino-1-(3-hydroxyazetidin-1-yl)heptan-1-one?
7-amino-1-(3-hydroxyazetidin-1-yl)heptan-1-one has a molecular weight of 200.28 g/mol, XLogP of 0.10, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-1-(3-hydroxyazetidin-1-yl)heptan-1-one is sourced from PubChem (CID 107217559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).