1-(cyclohex-3-en-1-ylmethyl)-3-ethyl-1,4-diazepane-2,5-dione

C14H22N2O2 — CID 64968026

IUPAC1-(cyclohex-3-en-1-ylmethyl)-3-ethyl-1,4-diazepane-2,5-dione
SMILESCCC1NC(=O)CCN(CC2CC=CCC2)C1=O
InChIInChI=1S/C14H22N2O2/c1-2-12-14(18)16(9-8-13(17)15-12)10-11-6-4-3-5-7-11/h3-4,11-12H,2,5-10H2,1H3,(H,15,17)
InChIKeyYLSGTZAVCHPVGF-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.47
Rot. Bonds3

About 1-(cyclohex-3-en-1-ylmethyl)-3-ethyl-1,4-diazepane-2,5-dione

1-(cyclohex-3-en-1-ylmethyl)-3-ethyl-1,4-diazepane-2,5-dione (PubChem CID 64968026) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 1-(cyclohex-3-en-1-ylmethyl)-3-ethyl-1,4-diazepane-2,5-dione.

Molecular Properties

Compound Name1-(cyclohex-3-en-1-ylmethyl)-3-ethyl-1,4-diazepane-2,5-dione
PubChem CID64968026
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name1-(cyclohex-3-en-1-ylmethyl)-3-ethyl-1,4-diazepane-2,5-dione
SMILESCCC1NC(=O)CCN(CC2CC=CCC2)C1=O
InChIInChI=1S/C14H22N2O2/c1-2-12-14(18)16(9-8-13(17)15-12)10-11-6-4-3-5-7-11/h3-4,11-12H,2,5-10H2,1H3,(H,15,17)
InChIKeyYLSGTZAVCHPVGF-UHFFFAOYSA-N
XLogP1.47
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-ethyl-1-[(4-ethylcyclohexyl)methyl]-1,4-diazepane-2,5-dione
CID 64968269
1-(cyclohex-3-en-1-ylmethyl)-1,3-diazinane-2,4-dione
CID 79777588
3-ethyl-1-[(1-ethylpyrrolidin-3-yl)methyl]-1,4-diazepane-2,5-dione
CID 64963488
3-ethyl-1-(3-ethylsulfonylpropyl)-1,4-diazepane-2,5-dione
CID 65096322
1-(cyclohex-3-en-1-ylmethyl)piperazine-2,5-dione
CID 64955845
1-[(5,5-dimethyloxolan-2-yl)methyl]-3-ethyl-1,4-diazepane-2,5-dione
CID 116524898
3-ethyl-1-methyl-1,4-diazepane-2,5-dione
CID 64881885
1-(cyclohex-3-en-1-ylmethyl)-6-ethyl-3-propylpiperazine-2,5-dione
CID 64968016
3-ethyl-1-[(1-methylpiperidin-4-yl)methyl]piperazine-2,5-dione
CID 64966881
3-ethyl-1-(furan-2-ylmethyl)-1,4-diazepane-2,5-dione
CID 64957599
3-ethyl-1-(2-phenylpropyl)-1,4-diazepane-2,5-dione
CID 104592419
3-benzyl-1-(cyclopropylmethyl)-1,4-diazepane-2,5-dione
CID 64881777

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohex-3-en-1-ylmethyl)-3-ethyl-1,4-diazepane-2,5-dione?
The IUPAC name of 1-(cyclohex-3-en-1-ylmethyl)-3-ethyl-1,4-diazepane-2,5-dione (CID 64968026) is 1-(cyclohex-3-en-1-ylmethyl)-3-ethyl-1,4-diazepane-2,5-dione.
What is the SMILES notation for 1-(cyclohex-3-en-1-ylmethyl)-3-ethyl-1,4-diazepane-2,5-dione?
The canonical SMILES for 1-(cyclohex-3-en-1-ylmethyl)-3-ethyl-1,4-diazepane-2,5-dione is CCC1NC(=O)CCN(CC2CC=CCC2)C1=O.
What is the InChIKey of 1-(cyclohex-3-en-1-ylmethyl)-3-ethyl-1,4-diazepane-2,5-dione?
The InChIKey is YLSGTZAVCHPVGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-2-12-14(18)16(9-8-13(17)15-12)10-11-6-4-3-5-7-11/h3-4,11-12H,2,5-10H2,1H3,(H,15,17).
What are the key properties of 1-(cyclohex-3-en-1-ylmethyl)-3-ethyl-1,4-diazepane-2,5-dione?
1-(cyclohex-3-en-1-ylmethyl)-3-ethyl-1,4-diazepane-2,5-dione has a molecular weight of 250.34 g/mol, XLogP of 1.47, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohex-3-en-1-ylmethyl)-3-ethyl-1,4-diazepane-2,5-dione is sourced from PubChem (CID 64968026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).