4-(2-hydroxyethyl)-7,7-dimethyl-1,4-diazepan-2-one

C9H18N2O2 — CID 19841688

IUPAC4-(2-hydroxyethyl)-7,7-dimethyl-1,4-diazepan-2-one
SMILESCC1(C)CCN(CCO)CC(=O)N1
InChIInChI=1S/C9H18N2O2/c1-9(2)3-4-11(5-6-12)7-8(13)10-9/h12H,3-7H2,1-2H3,(H,10,13)
InChIKeyWRXTXYNTLSIUEH-UHFFFAOYSA-N
MW186.25 g/mol
LogP-0.42
Rot. Bonds2

About 4-(2-hydroxyethyl)-7,7-dimethyl-1,4-diazepan-2-one

4-(2-hydroxyethyl)-7,7-dimethyl-1,4-diazepan-2-one (PubChem CID 19841688) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is 4-(2-hydroxyethyl)-7,7-dimethyl-1,4-diazepan-2-one.

Molecular Properties

Compound Name4-(2-hydroxyethyl)-7,7-dimethyl-1,4-diazepan-2-one
PubChem CID19841688
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC Name4-(2-hydroxyethyl)-7,7-dimethyl-1,4-diazepan-2-one
SMILESCC1(C)CCN(CCO)CC(=O)N1
InChIInChI=1S/C9H18N2O2/c1-9(2)3-4-11(5-6-12)7-8(13)10-9/h12H,3-7H2,1-2H3,(H,10,13)
InChIKeyWRXTXYNTLSIUEH-UHFFFAOYSA-N
XLogP-0.42
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 5-0.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-(2-hydroxyethyl)-7,7-dimethyl-1,4-diazepan-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 4-(2-hydroxyethyl)-7,7-dimethyl-1,4-diazepan-2-one?
The IUPAC name of 4-(2-hydroxyethyl)-7,7-dimethyl-1,4-diazepan-2-one (CID 19841688) is 4-(2-hydroxyethyl)-7,7-dimethyl-1,4-diazepan-2-one.
What is the SMILES notation for 4-(2-hydroxyethyl)-7,7-dimethyl-1,4-diazepan-2-one?
The canonical SMILES for 4-(2-hydroxyethyl)-7,7-dimethyl-1,4-diazepan-2-one is CC1(C)CCN(CCO)CC(=O)N1.
What is the InChIKey of 4-(2-hydroxyethyl)-7,7-dimethyl-1,4-diazepan-2-one?
The InChIKey is WRXTXYNTLSIUEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2/c1-9(2)3-4-11(5-6-12)7-8(13)10-9/h12H,3-7H2,1-2H3,(H,10,13).
What are the key properties of 4-(2-hydroxyethyl)-7,7-dimethyl-1,4-diazepan-2-one?
4-(2-hydroxyethyl)-7,7-dimethyl-1,4-diazepan-2-one has a molecular weight of 186.25 g/mol, XLogP of -0.42, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydroxyethyl)-7,7-dimethyl-1,4-diazepan-2-one is sourced from PubChem (CID 19841688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).