1,6,6-trimethyl-1,3-diazepan-2-one

C8H16N2O — CID 147281307

IUPAC1,6,6-trimethyl-1,3-diazepan-2-one
SMILESCN1CC(C)(C)CCNC1=O
InChIInChI=1S/C8H16N2O/c1-8(2)4-5-9-7(11)10(3)6-8/h4-6H2,1-3H3,(H,9,11)
InChIKeyCSIVOBZPBBFKHA-UHFFFAOYSA-N
MW156.23 g/mol
LogP1.06
Rot. Bonds

About 1,6,6-trimethyl-1,3-diazepan-2-one

1,6,6-trimethyl-1,3-diazepan-2-one (PubChem CID 147281307) has the molecular formula C8H16N2O and a molecular weight of 156.23 g/mol. Its IUPAC name is 1,6,6-trimethyl-1,3-diazepan-2-one.

Molecular Properties

Compound Name1,6,6-trimethyl-1,3-diazepan-2-one
PubChem CID147281307
Molecular FormulaC8H16N2O
Molecular Weight156.23 g/mol
Exact Mass156.13
IUPAC Name1,6,6-trimethyl-1,3-diazepan-2-one
SMILESCN1CC(C)(C)CCNC1=O
InChIInChI=1S/C8H16N2O/c1-8(2)4-5-9-7(11)10(3)6-8/h4-6H2,1-3H3,(H,9,11)
InChIKeyCSIVOBZPBBFKHA-UHFFFAOYSA-N
XLogP1.06
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,6,6-trimethyl-1,3-diazepan-2-one?
The IUPAC name of 1,6,6-trimethyl-1,3-diazepan-2-one (CID 147281307) is 1,6,6-trimethyl-1,3-diazepan-2-one.
What is the SMILES notation for 1,6,6-trimethyl-1,3-diazepan-2-one?
The canonical SMILES for 1,6,6-trimethyl-1,3-diazepan-2-one is CN1CC(C)(C)CCNC1=O.
What is the InChIKey of 1,6,6-trimethyl-1,3-diazepan-2-one?
The InChIKey is CSIVOBZPBBFKHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O/c1-8(2)4-5-9-7(11)10(3)6-8/h4-6H2,1-3H3,(H,9,11).
What are the key properties of 1,6,6-trimethyl-1,3-diazepan-2-one?
1,6,6-trimethyl-1,3-diazepan-2-one has a molecular weight of 156.23 g/mol, XLogP of 1.06, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6,6-trimethyl-1,3-diazepan-2-one is sourced from PubChem (CID 147281307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).