benzene;1,3-dimethyl-1,3-diazinan-2-one

C12H18N2O — CID 70209375

IUPACbenzene;1,3-dimethyl-1,3-diazinan-2-one
SMILESCN1CCCN(C)C1=O.c1ccccc1
InChIInChI=1S/C6H12N2O.C6H6/c1-7-4-3-5-8(2)6(7)9;1-2-4-6-5-3-1/h3-5H2,1-2H3;1-6H
InChIKeyMICCXSDOJXMKKH-UHFFFAOYSA-N
MW206.29 g/mol
LogP2.06
Rot. Bonds

About benzene;1,3-dimethyl-1,3-diazinan-2-one

benzene;1,3-dimethyl-1,3-diazinan-2-one (PubChem CID 70209375) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is benzene;1,3-dimethyl-1,3-diazinan-2-one.

Molecular Properties

Compound Namebenzene;1,3-dimethyl-1,3-diazinan-2-one
PubChem CID70209375
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Namebenzene;1,3-dimethyl-1,3-diazinan-2-one
SMILESCN1CCCN(C)C1=O.c1ccccc1
InChIInChI=1S/C6H12N2O.C6H6/c1-7-4-3-5-8(2)6(7)9;1-2-4-6-5-3-1/h3-5H2,1-2H3;1-6H
InChIKeyMICCXSDOJXMKKH-UHFFFAOYSA-N
XLogP2.06
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of benzene;1,3-dimethyl-1,3-diazinan-2-one?
The IUPAC name of benzene;1,3-dimethyl-1,3-diazinan-2-one (CID 70209375) is benzene;1,3-dimethyl-1,3-diazinan-2-one.
What is the SMILES notation for benzene;1,3-dimethyl-1,3-diazinan-2-one?
The canonical SMILES for benzene;1,3-dimethyl-1,3-diazinan-2-one is CN1CCCN(C)C1=O.c1ccccc1.
What is the InChIKey of benzene;1,3-dimethyl-1,3-diazinan-2-one?
The InChIKey is MICCXSDOJXMKKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O.C6H6/c1-7-4-3-5-8(2)6(7)9;1-2-4-6-5-3-1/h3-5H2,1-2H3;1-6H.
What are the key properties of benzene;1,3-dimethyl-1,3-diazinan-2-one?
benzene;1,3-dimethyl-1,3-diazinan-2-one has a molecular weight of 206.29 g/mol, XLogP of 2.06, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;1,3-dimethyl-1,3-diazinan-2-one is sourced from PubChem (CID 70209375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).