4-propan-2-yl-1,3-diazepan-5-one

C8H16N2O — CID 91522647

IUPAC4-propan-2-yl-1,3-diazepan-5-one
SMILESCC(C)C1NCNCCC1=O
InChIInChI=1S/C8H16N2O/c1-6(2)8-7(11)3-4-9-5-10-8/h6,8-10H,3-5H2,1-2H3
InChIKeyMKMDNXRTWQLRGR-UHFFFAOYSA-N
MW156.23 g/mol
LogP0.12
Rot. Bonds1

About 4-propan-2-yl-1,3-diazepan-5-one

4-propan-2-yl-1,3-diazepan-5-one (PubChem CID 91522647) has the molecular formula C8H16N2O and a molecular weight of 156.23 g/mol. Its IUPAC name is 4-propan-2-yl-1,3-diazepan-5-one.

Molecular Properties

Compound Name4-propan-2-yl-1,3-diazepan-5-one
PubChem CID91522647
Molecular FormulaC8H16N2O
Molecular Weight156.23 g/mol
Exact Mass156.13
IUPAC Name4-propan-2-yl-1,3-diazepan-5-one
SMILESCC(C)C1NCNCCC1=O
InChIInChI=1S/C8H16N2O/c1-6(2)8-7(11)3-4-9-5-10-8/h6,8-10H,3-5H2,1-2H3
InChIKeyMKMDNXRTWQLRGR-UHFFFAOYSA-N
XLogP0.12
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-propan-2-yl-1,3-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

Related Compounds

4-propan-2-yl-1,3-diazinane
CID 58473806
4-methylidene-5-propan-2-ylimidazolidine
CID 145274966
(2R)-2-methylpyrrolidin-3-one
CID 67533631
3-(3,3-dimethylbutan-2-yl)piperidin-4-one
CID 175437276
9-ethyl-4-propan-2-yl-1,3-oxazonane-5,7-dione
CID 20759816
3-(hydroxymethyl)piperidin-4-one
CID 154392175
3-methoxypiperidin-4-one
CID 53407785
3-hydroxy-2-propan-2-yl-1,3-diazinan-4-one
CID 15306182
2-propan-2-ylcycloheptadecane-1,3-dione
CID 173164440
(4S,17S)-4,17-di(propan-2-yl)-3,6,15,18-tetrazabicyclo[18.2.2]tetracosa-1(22),20,23-triene-5,16-dione
CID 101248774
5-bromo-7-methylazepan-4-one
CID 86686063
(3R,7R)-3,7-di(propan-2-yl)-1-oxa-4,6-diaza-5-phosphoniaspiro[4.4]nonane-2,8-dione
CID 101472007

Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-1,3-diazepan-5-one?
The IUPAC name of 4-propan-2-yl-1,3-diazepan-5-one (CID 91522647) is 4-propan-2-yl-1,3-diazepan-5-one.
What is the SMILES notation for 4-propan-2-yl-1,3-diazepan-5-one?
The canonical SMILES for 4-propan-2-yl-1,3-diazepan-5-one is CC(C)C1NCNCCC1=O.
What is the InChIKey of 4-propan-2-yl-1,3-diazepan-5-one?
The InChIKey is MKMDNXRTWQLRGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O/c1-6(2)8-7(11)3-4-9-5-10-8/h6,8-10H,3-5H2,1-2H3.
What are the key properties of 4-propan-2-yl-1,3-diazepan-5-one?
4-propan-2-yl-1,3-diazepan-5-one has a molecular weight of 156.23 g/mol, XLogP of 0.12, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-1,3-diazepan-5-one is sourced from PubChem (CID 91522647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).