6-ethyl-3-propyl-1,3-diazepane-2,4-dione

C10H18N2O2 — CID 81070578

IUPAC6-ethyl-3-propyl-1,3-diazepane-2,4-dione
SMILESCCCN1C(=O)CC(CC)CNC1=O
InChIInChI=1S/C10H18N2O2/c1-3-5-12-9(13)6-8(4-2)7-11-10(12)14/h8H,3-7H2,1-2H3,(H,11,14)
InChIKeyCTMITXZCNROLAK-UHFFFAOYSA-N
MW198.27 g/mol
LogP1.36
Rot. Bonds3

About 6-ethyl-3-propyl-1,3-diazepane-2,4-dione

6-ethyl-3-propyl-1,3-diazepane-2,4-dione (PubChem CID 81070578) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is 6-ethyl-3-propyl-1,3-diazepane-2,4-dione.

Molecular Properties

Compound Name6-ethyl-3-propyl-1,3-diazepane-2,4-dione
PubChem CID81070578
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC Name6-ethyl-3-propyl-1,3-diazepane-2,4-dione
SMILESCCCN1C(=O)CC(CC)CNC1=O
InChIInChI=1S/C10H18N2O2/c1-3-5-12-9(13)6-8(4-2)7-11-10(12)14/h8H,3-7H2,1-2H3,(H,11,14)
InChIKeyCTMITXZCNROLAK-UHFFFAOYSA-N
XLogP1.36
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-3-propyl-1,3-diazepane-2,4-dione?
The IUPAC name of 6-ethyl-3-propyl-1,3-diazepane-2,4-dione (CID 81070578) is 6-ethyl-3-propyl-1,3-diazepane-2,4-dione.
What is the SMILES notation for 6-ethyl-3-propyl-1,3-diazepane-2,4-dione?
The canonical SMILES for 6-ethyl-3-propyl-1,3-diazepane-2,4-dione is CCCN1C(=O)CC(CC)CNC1=O.
What is the InChIKey of 6-ethyl-3-propyl-1,3-diazepane-2,4-dione?
The InChIKey is CTMITXZCNROLAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2/c1-3-5-12-9(13)6-8(4-2)7-11-10(12)14/h8H,3-7H2,1-2H3,(H,11,14).
What are the key properties of 6-ethyl-3-propyl-1,3-diazepane-2,4-dione?
6-ethyl-3-propyl-1,3-diazepane-2,4-dione has a molecular weight of 198.27 g/mol, XLogP of 1.36, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-3-propyl-1,3-diazepane-2,4-dione is sourced from PubChem (CID 81070578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).