1,3-dimethyl-1,4-diazepan-2-one;ethane

C11H26N2O — CID 143004866

IUPAC1,3-dimethyl-1,4-diazepan-2-one;ethane
SMILESCC.CC.CC1NCCCN(C)C1=O
InChIInChI=1S/C7H14N2O.2C2H6/c1-6-7(10)9(2)5-3-4-8-6;2*1-2/h6,8H,3-5H2,1-2H3;2*1-2H3
InChIKeyZQIAOPWRESOTHY-UHFFFAOYSA-N
MW202.34 g/mol
LogP1.88
Rot. Bonds

About 1,3-dimethyl-1,4-diazepan-2-one;ethane

1,3-dimethyl-1,4-diazepan-2-one;ethane (PubChem CID 143004866) has the molecular formula C11H26N2O and a molecular weight of 202.34 g/mol. Its IUPAC name is 1,3-dimethyl-1,4-diazepan-2-one;ethane.

Molecular Properties

Compound Name1,3-dimethyl-1,4-diazepan-2-one;ethane
PubChem CID143004866
Molecular FormulaC11H26N2O
Molecular Weight202.34 g/mol
Exact Mass202.20
IUPAC Name1,3-dimethyl-1,4-diazepan-2-one;ethane
SMILESCC.CC.CC1NCCCN(C)C1=O
InChIInChI=1S/C7H14N2O.2C2H6/c1-6-7(10)9(2)5-3-4-8-6;2*1-2/h6,8H,3-5H2,1-2H3;2*1-2H3
InChIKeyZQIAOPWRESOTHY-UHFFFAOYSA-N
XLogP1.88
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.34
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,3-dimethylpiperazin-2-one;ethane
CID 163399035
1-(2-methoxyethyl)-3-methyl-1,4-diazepan-2-one
CID 63258997
(5S)-3,5-dimethylimidazolidin-4-one
CID 12794136
1,3-dimethyl-1,5-diazocan-2-one
CID 13418870
3-methyl-1-(4-methylpentyl)-1,4-diazepan-2-one
CID 83160675
3-methyl-1-(2-oxopropyl)-1,4-diazepan-2-one
CID 115102162
3,5-dimethylimidazolidin-4-one;methanol
CID 143342148
1-ethyl-3-methyl-1,4-diazocan-2-one
CID 117016221
3-methyl-1-[(1-methylpiperidin-3-yl)methyl]-1,4-diazepan-2-one
CID 115102053
3-methyl-1-[(2-methyltetrazol-5-yl)methyl]-1,4-diazepan-2-one
CID 107052712
1-cyclobutyl-3-methylpiperazin-2-one
CID 115101959
1-[(3,5-dimethylphenyl)methyl]-3-methyl-1,4-diazepan-2-one
CID 63258782

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-1,4-diazepan-2-one;ethane?
The IUPAC name of 1,3-dimethyl-1,4-diazepan-2-one;ethane (CID 143004866) is 1,3-dimethyl-1,4-diazepan-2-one;ethane.
What is the SMILES notation for 1,3-dimethyl-1,4-diazepan-2-one;ethane?
The canonical SMILES for 1,3-dimethyl-1,4-diazepan-2-one;ethane is CC.CC.CC1NCCCN(C)C1=O.
What is the InChIKey of 1,3-dimethyl-1,4-diazepan-2-one;ethane?
The InChIKey is ZQIAOPWRESOTHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O.2C2H6/c1-6-7(10)9(2)5-3-4-8-6;2*1-2/h6,8H,3-5H2,1-2H3;2*1-2H3.
What are the key properties of 1,3-dimethyl-1,4-diazepan-2-one;ethane?
1,3-dimethyl-1,4-diazepan-2-one;ethane has a molecular weight of 202.34 g/mol, XLogP of 1.88, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-1,4-diazepan-2-one;ethane is sourced from PubChem (CID 143004866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).