7-morpholin-4-ylheptan-2-one

C11H21NO2 — CID 58837127

IUPAC7-morpholin-4-ylheptan-2-one
SMILESCC(=O)CCCCCN1CCOCC1
InChIInChI=1S/C11H21NO2/c1-11(13)5-3-2-4-6-12-7-9-14-10-8-12/h2-10H2,1H3
InChIKeyJCEUISQHOIGEQC-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.47
Rot. Bonds6

About 7-morpholin-4-ylheptan-2-one

7-morpholin-4-ylheptan-2-one (PubChem CID 58837127) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is 7-morpholin-4-ylheptan-2-one.

Molecular Properties

Compound Name7-morpholin-4-ylheptan-2-one
PubChem CID58837127
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name7-morpholin-4-ylheptan-2-one
SMILESCC(=O)CCCCCN1CCOCC1
InChIInChI=1S/C11H21NO2/c1-11(13)5-3-2-4-6-12-7-9-14-10-8-12/h2-10H2,1H3
InChIKeyJCEUISQHOIGEQC-UHFFFAOYSA-N
XLogP1.47
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 7-morpholin-4-ylheptan-2-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-morpholin-4-ylheptan-2-one?
The IUPAC name of 7-morpholin-4-ylheptan-2-one (CID 58837127) is 7-morpholin-4-ylheptan-2-one.
What is the SMILES notation for 7-morpholin-4-ylheptan-2-one?
The canonical SMILES for 7-morpholin-4-ylheptan-2-one is CC(=O)CCCCCN1CCOCC1.
What is the InChIKey of 7-morpholin-4-ylheptan-2-one?
The InChIKey is JCEUISQHOIGEQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-11(13)5-3-2-4-6-12-7-9-14-10-8-12/h2-10H2,1H3.
What are the key properties of 7-morpholin-4-ylheptan-2-one?
7-morpholin-4-ylheptan-2-one has a molecular weight of 199.29 g/mol, XLogP of 1.47, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-morpholin-4-ylheptan-2-one is sourced from PubChem (CID 58837127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).