3-methyl-1-pentan-3-yl-1,4-diazepane-2,5-dione

C11H20N2O2 — CID 64958129

IUPAC3-methyl-1-pentan-3-yl-1,4-diazepane-2,5-dione
SMILESCCC(CC)N1CCC(=O)NC(C)C1=O
InChIInChI=1S/C11H20N2O2/c1-4-9(5-2)13-7-6-10(14)12-8(3)11(13)15/h8-9H,4-7H2,1-3H3,(H,12,14)
InChIKeyLMTRQTPSTMEBIV-UHFFFAOYSA-N
MW212.29 g/mol
LogP0.91
Rot. Bonds3

About 3-methyl-1-pentan-3-yl-1,4-diazepane-2,5-dione

3-methyl-1-pentan-3-yl-1,4-diazepane-2,5-dione (PubChem CID 64958129) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is 3-methyl-1-pentan-3-yl-1,4-diazepane-2,5-dione.

Molecular Properties

Compound Name3-methyl-1-pentan-3-yl-1,4-diazepane-2,5-dione
PubChem CID64958129
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name3-methyl-1-pentan-3-yl-1,4-diazepane-2,5-dione
SMILESCCC(CC)N1CCC(=O)NC(C)C1=O
InChIInChI=1S/C11H20N2O2/c1-4-9(5-2)13-7-6-10(14)12-8(3)11(13)15/h8-9H,4-7H2,1-3H3,(H,12,14)
InChIKeyLMTRQTPSTMEBIV-UHFFFAOYSA-N
XLogP0.91
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-1-(3-methylbutan-2-yl)-1,4-diazepane-2,5-dione
CID 64959675
3-methyl-1-(1-thiophen-2-ylbutyl)-1,4-diazepane-2,5-dione
CID 64966450
3-ethyl-3-methyl-1-pentan-3-yl-1,4-diazepane-2,5-dione
CID 64958170
1-hex-5-yn-3-yl-3-propyl-1,4-diazepane-2,5-dione
CID 113478318
(3S)-3-methyl-1-propan-2-ylpiperazine-2,5-dione
CID 164760236
1-[1-(5-chlorothiophen-2-yl)ethyl]-3-methyl-1,4-diazepane-2,5-dione
CID 64964973
1-(3,3-dimethylbutyl)-3-methyl-1,4-diazepane-2,5-dione
CID 64883352
3-cyclopropyl-1-(1-methoxybutan-2-yl)-3-methyl-1,4-diazepane-2,5-dione
CID 64972797
3-butan-2-yl-1-(3,3-dimethylbutan-2-yl)-1,4-diazepane-2,5-dione
CID 104830298
3-methyl-1-(6-methylsulfanylhexyl)-1,4-diazepane-2,5-dione
CID 114124782
1-(1,1-dioxothian-4-yl)-3-methyl-1,4-diazepane-2,5-dione
CID 64960953
1-but-3-ynyl-3-methyl-1,4-diazepane-2,5-dione
CID 64972576

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-pentan-3-yl-1,4-diazepane-2,5-dione?
The IUPAC name of 3-methyl-1-pentan-3-yl-1,4-diazepane-2,5-dione (CID 64958129) is 3-methyl-1-pentan-3-yl-1,4-diazepane-2,5-dione.
What is the SMILES notation for 3-methyl-1-pentan-3-yl-1,4-diazepane-2,5-dione?
The canonical SMILES for 3-methyl-1-pentan-3-yl-1,4-diazepane-2,5-dione is CCC(CC)N1CCC(=O)NC(C)C1=O.
What is the InChIKey of 3-methyl-1-pentan-3-yl-1,4-diazepane-2,5-dione?
The InChIKey is LMTRQTPSTMEBIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-4-9(5-2)13-7-6-10(14)12-8(3)11(13)15/h8-9H,4-7H2,1-3H3,(H,12,14).
What are the key properties of 3-methyl-1-pentan-3-yl-1,4-diazepane-2,5-dione?
3-methyl-1-pentan-3-yl-1,4-diazepane-2,5-dione has a molecular weight of 212.29 g/mol, XLogP of 0.91, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-pentan-3-yl-1,4-diazepane-2,5-dione is sourced from PubChem (CID 64958129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).