4-(2-hydroxyethyl)-1-propyl-1,4-diazepan-5-one

C10H20N2O2 — CID 24816479

IUPAC4-(2-hydroxyethyl)-1-propyl-1,4-diazepan-5-one
SMILESCCCN1CCC(=O)N(CCO)CC1
InChIInChI=1S/C10H20N2O2/c1-2-4-11-5-3-10(14)12(7-6-11)8-9-13/h13H,2-9H2,1H3
InChIKeyIXZZROGJXIUHCN-UHFFFAOYSA-N
MW200.28 g/mol
LogP-0.08
Rot. Bonds4

About 4-(2-hydroxyethyl)-1-propyl-1,4-diazepan-5-one

4-(2-hydroxyethyl)-1-propyl-1,4-diazepan-5-one (PubChem CID 24816479) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is 4-(2-hydroxyethyl)-1-propyl-1,4-diazepan-5-one.

Molecular Properties

Compound Name4-(2-hydroxyethyl)-1-propyl-1,4-diazepan-5-one
PubChem CID24816479
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Name4-(2-hydroxyethyl)-1-propyl-1,4-diazepan-5-one
SMILESCCCN1CCC(=O)N(CCO)CC1
InChIInChI=1S/C10H20N2O2/c1-2-4-11-5-3-10(14)12(7-6-11)8-9-13/h13H,2-9H2,1H3
InChIKeyIXZZROGJXIUHCN-UHFFFAOYSA-N
XLogP-0.08
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 5-0.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(2-hydroxyethyl)-1-propyl-1,4-diazepan-5-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 4-(2-hydroxyethyl)-1-propyl-1,4-diazepan-5-one?
The IUPAC name of 4-(2-hydroxyethyl)-1-propyl-1,4-diazepan-5-one (CID 24816479) is 4-(2-hydroxyethyl)-1-propyl-1,4-diazepan-5-one.
What is the SMILES notation for 4-(2-hydroxyethyl)-1-propyl-1,4-diazepan-5-one?
The canonical SMILES for 4-(2-hydroxyethyl)-1-propyl-1,4-diazepan-5-one is CCCN1CCC(=O)N(CCO)CC1.
What is the InChIKey of 4-(2-hydroxyethyl)-1-propyl-1,4-diazepan-5-one?
The InChIKey is IXZZROGJXIUHCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-2-4-11-5-3-10(14)12(7-6-11)8-9-13/h13H,2-9H2,1H3.
What are the key properties of 4-(2-hydroxyethyl)-1-propyl-1,4-diazepan-5-one?
4-(2-hydroxyethyl)-1-propyl-1,4-diazepan-5-one has a molecular weight of 200.28 g/mol, XLogP of -0.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydroxyethyl)-1-propyl-1,4-diazepan-5-one is sourced from PubChem (CID 24816479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).