2-(3,5-dimethylcyclohexyl)-3,4,7,8,9,9a-hexahydropyrrolo[1,2-a][1,4]diazepine-1,5-dione

C16H26N2O2 — CID 79945145

IUPAC2-(3,5-dimethylcyclohexyl)-3,4,7,8,9,9a-hexahydropyrrolo[1,2-a][1,4]diazepine-1,5-dione
SMILESCC1CC(C)CC(N2CCC(=O)N3CCCC3C2=O)C1
InChIInChI=1S/C16H26N2O2/c1-11-8-12(2)10-13(9-11)17-7-5-15(19)18-6-3-4-14(18)16(17)20/h11-14H,3-10H2,1-2H3
InChIKeyDQTZONPLTMIWRT-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.03
Rot. Bonds1

About 2-(3,5-dimethylcyclohexyl)-3,4,7,8,9,9a-hexahydropyrrolo[1,2-a][1,4]diazepine-1,5-dione

2-(3,5-dimethylcyclohexyl)-3,4,7,8,9,9a-hexahydropyrrolo[1,2-a][1,4]diazepine-1,5-dione (PubChem CID 79945145) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 2-(3,5-dimethylcyclohexyl)-3,4,7,8,9,9a-hexahydropyrrolo[1,2-a][1,4]diazepine-1,5-dione.

Molecular Properties

Compound Name2-(3,5-dimethylcyclohexyl)-3,4,7,8,9,9a-hexahydropyrrolo[1,2-a][1,4]diazepine-1,5-dione
PubChem CID79945145
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name2-(3,5-dimethylcyclohexyl)-3,4,7,8,9,9a-hexahydropyrrolo[1,2-a][1,4]diazepine-1,5-dione
SMILESCC1CC(C)CC(N2CCC(=O)N3CCCC3C2=O)C1
InChIInChI=1S/C16H26N2O2/c1-11-8-12(2)10-13(9-11)17-7-5-15(19)18-6-3-4-14(18)16(17)20/h11-14H,3-10H2,1-2H3
InChIKeyDQTZONPLTMIWRT-UHFFFAOYSA-N
XLogP2.03
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(3,5-dimethylcyclohexyl)-3,4,7,8,9,9a-hexahydropyrrolo[1,2-a][1,4]diazepine-1,5-dione with MolForge

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Related Compounds

2-(3-methylcyclobutyl)-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione
CID 113467515
2-cyclohexyl-4,7,8,9,10,10a-hexahydro-3H-pyrido[1,2-a][1,4]diazepine-1,5-dione
CID 79931975
2-(4-methylcyclohexyl)-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione
CID 79944458
2-(2-ethylcyclohexyl)-3,4,7,8,9,9a-hexahydropyrrolo[1,2-a][1,4]diazepine-1,5-dione
CID 79944625
3-(cyclopropylamino)-1-(3,5-dimethylcyclohexyl)piperidin-2-one
CID 64731740
2-(2,2-dimethyloxan-4-yl)-4,7,8,9,10,10a-hexahydro-3H-pyrido[1,2-a][1,4]diazepine-1,5-dione
CID 83036096
7-methyl-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one
CID 78385872
2-propyl-3,4,7,8,9,9a-hexahydropyrrolo[1,2-a][1,4]diazepine-1,5-dione
CID 79944247
3-amino-1-(3,5-dimethylcyclohexyl)pyrrolidin-2-one
CID 64732496
2-(3-methylcyclopentyl)-3-propan-2-yl-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione
CID 114551336
2-[3-(dimethylamino)propyl]-3,4,7,8,9,9a-hexahydropyrrolo[1,2-a][1,4]diazepine-1,5-dione
CID 79944185
2-(3-methylpentan-3-yl)-3,4,7,8,9,9a-hexahydropyrrolo[1,2-a][1,4]diazepine-1,5-dione
CID 106329168

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylcyclohexyl)-3,4,7,8,9,9a-hexahydropyrrolo[1,2-a][1,4]diazepine-1,5-dione?
The IUPAC name of 2-(3,5-dimethylcyclohexyl)-3,4,7,8,9,9a-hexahydropyrrolo[1,2-a][1,4]diazepine-1,5-dione (CID 79945145) is 2-(3,5-dimethylcyclohexyl)-3,4,7,8,9,9a-hexahydropyrrolo[1,2-a][1,4]diazepine-1,5-dione.
What is the SMILES notation for 2-(3,5-dimethylcyclohexyl)-3,4,7,8,9,9a-hexahydropyrrolo[1,2-a][1,4]diazepine-1,5-dione?
The canonical SMILES for 2-(3,5-dimethylcyclohexyl)-3,4,7,8,9,9a-hexahydropyrrolo[1,2-a][1,4]diazepine-1,5-dione is CC1CC(C)CC(N2CCC(=O)N3CCCC3C2=O)C1.
What is the InChIKey of 2-(3,5-dimethylcyclohexyl)-3,4,7,8,9,9a-hexahydropyrrolo[1,2-a][1,4]diazepine-1,5-dione?
The InChIKey is DQTZONPLTMIWRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-11-8-12(2)10-13(9-11)17-7-5-15(19)18-6-3-4-14(18)16(17)20/h11-14H,3-10H2,1-2H3.
What are the key properties of 2-(3,5-dimethylcyclohexyl)-3,4,7,8,9,9a-hexahydropyrrolo[1,2-a][1,4]diazepine-1,5-dione?
2-(3,5-dimethylcyclohexyl)-3,4,7,8,9,9a-hexahydropyrrolo[1,2-a][1,4]diazepine-1,5-dione has a molecular weight of 278.40 g/mol, XLogP of 2.03, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylcyclohexyl)-3,4,7,8,9,9a-hexahydropyrrolo[1,2-a][1,4]diazepine-1,5-dione is sourced from PubChem (CID 79945145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).