3-cyclopropyl-3,7-dimethyl-1-(3-methylbut-2-enyl)-1,4-diazepane-2,5-dione

C15H24N2O2 — CID 107902490

IUPAC3-cyclopropyl-3,7-dimethyl-1-(3-methylbut-2-enyl)-1,4-diazepane-2,5-dione
SMILESCC(C)=CCN1C(=O)C(C)(C2CC2)NC(=O)CC1C
InChIInChI=1S/C15H24N2O2/c1-10(2)7-8-17-11(3)9-13(18)16-15(4,14(17)19)12-5-6-12/h7,11-12H,5-6,8-9H2,1-4H3,(H,16,18)
InChIKeyVDBJLXIFRSBQEK-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.86
Rot. Bonds3

About 3-cyclopropyl-3,7-dimethyl-1-(3-methylbut-2-enyl)-1,4-diazepane-2,5-dione

3-cyclopropyl-3,7-dimethyl-1-(3-methylbut-2-enyl)-1,4-diazepane-2,5-dione (PubChem CID 107902490) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 3-cyclopropyl-3,7-dimethyl-1-(3-methylbut-2-enyl)-1,4-diazepane-2,5-dione.

Molecular Properties

Compound Name3-cyclopropyl-3,7-dimethyl-1-(3-methylbut-2-enyl)-1,4-diazepane-2,5-dione
PubChem CID107902490
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name3-cyclopropyl-3,7-dimethyl-1-(3-methylbut-2-enyl)-1,4-diazepane-2,5-dione
SMILESCC(C)=CCN1C(=O)C(C)(C2CC2)NC(=O)CC1C
InChIInChI=1S/C15H24N2O2/c1-10(2)7-8-17-11(3)9-13(18)16-15(4,14(17)19)12-5-6-12/h7,11-12H,5-6,8-9H2,1-4H3,(H,16,18)
InChIKeyVDBJLXIFRSBQEK-UHFFFAOYSA-N
XLogP1.86
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-cyclopropyl-3,7-dimethyl-1-(3-methylbut-2-enyl)-1,4-diazepane-2,5-dione 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

3-ethyl-3,7-dimethyl-1-(3-methylbut-2-enyl)-1,4-diazepane-2,5-dione
CID 114014219
3-cyclopropyl-1-(2,2-difluoroethyl)-3,7-dimethyl-1,4-diazepane-2,5-dione
CID 64883612
3-cyclopropyl-3,7-dimethyl-1-(2-thiophen-3-ylethyl)-1,4-diazepane-2,5-dione
CID 64881675
3-cyclopropyl-3,7-dimethyl-1-(2-thiophen-2-ylethyl)-1,4-diazepane-2,5-dione
CID 64882835
7-methyl-1-(3-methylbut-2-enyl)-3-phenyl-1,4-diazepane-2,5-dione
CID 107902470
1-(3-chloro-2-methylprop-2-enyl)-3-cyclopropyl-3,6-dimethylpiperazine-2,5-dione
CID 106440757
6-cyclopropyl-3,6-dimethyl-1-(3-methylbut-2-enyl)piperazine-2,5-dione
CID 107902022
1-[(E)-but-2-enyl]-3,6-dicyclopropyl-3-methylpiperazine-2,5-dione
CID 107898352
1-(cyclopentylmethyl)-3-cyclopropyl-3,6-dimethylpiperazine-2,5-dione
CID 64887277
6-cyclopropyl-6-methyl-1-(3-methylbut-2-enyl)piperazine-2,5-dione
CID 107902417
3,3-dimethyl-1-(3-methylbut-2-enyl)piperazine-2,5-dione
CID 107902433
1-[(E)-3-chloroprop-2-enyl]-3-cyclopropyl-3-methyl-6-propan-2-ylpiperazine-2,5-dione
CID 107902298

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-3,7-dimethyl-1-(3-methylbut-2-enyl)-1,4-diazepane-2,5-dione?
The IUPAC name of 3-cyclopropyl-3,7-dimethyl-1-(3-methylbut-2-enyl)-1,4-diazepane-2,5-dione (CID 107902490) is 3-cyclopropyl-3,7-dimethyl-1-(3-methylbut-2-enyl)-1,4-diazepane-2,5-dione.
What is the SMILES notation for 3-cyclopropyl-3,7-dimethyl-1-(3-methylbut-2-enyl)-1,4-diazepane-2,5-dione?
The canonical SMILES for 3-cyclopropyl-3,7-dimethyl-1-(3-methylbut-2-enyl)-1,4-diazepane-2,5-dione is CC(C)=CCN1C(=O)C(C)(C2CC2)NC(=O)CC1C.
What is the InChIKey of 3-cyclopropyl-3,7-dimethyl-1-(3-methylbut-2-enyl)-1,4-diazepane-2,5-dione?
The InChIKey is VDBJLXIFRSBQEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-10(2)7-8-17-11(3)9-13(18)16-15(4,14(17)19)12-5-6-12/h7,11-12H,5-6,8-9H2,1-4H3,(H,16,18).
What are the key properties of 3-cyclopropyl-3,7-dimethyl-1-(3-methylbut-2-enyl)-1,4-diazepane-2,5-dione?
3-cyclopropyl-3,7-dimethyl-1-(3-methylbut-2-enyl)-1,4-diazepane-2,5-dione has a molecular weight of 264.37 g/mol, XLogP of 1.86, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-3,7-dimethyl-1-(3-methylbut-2-enyl)-1,4-diazepane-2,5-dione is sourced from PubChem (CID 107902490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).