(5S)-1-[(1R)-cyclohex-2-en-1-yl]-3,5-dimethyl-1,3-diazinan-2-one

C12H20N2O — CID 124672563

IUPAC(5S)-1-[(1R)-cyclohex-2-en-1-yl]-3,5-dimethyl-1,3-diazinan-2-one
SMILESC[C@H]1CN(C)C(=O)N([C@H]2C=CCCC2)C1
InChIInChI=1S/C12H20N2O/c1-10-8-13(2)12(15)14(9-10)11-6-4-3-5-7-11/h4,6,10-11H,3,5,7-9H2,1-2H3/t10-,11-/m0/s1
InChIKeyQYAAMAJOFNKYLZ-QWRGUYRKSA-N
MW208.30 g/mol
LogP2.10
Rot. Bonds1

About (5S)-1-[(1R)-cyclohex-2-en-1-yl]-3,5-dimethyl-1,3-diazinan-2-one

(5S)-1-[(1R)-cyclohex-2-en-1-yl]-3,5-dimethyl-1,3-diazinan-2-one (PubChem CID 124672563) has the molecular formula C12H20N2O and a molecular weight of 208.30 g/mol. Its IUPAC name is (5S)-1-[(1R)-cyclohex-2-en-1-yl]-3,5-dimethyl-1,3-diazinan-2-one.

Molecular Properties

Compound Name(5S)-1-[(1R)-cyclohex-2-en-1-yl]-3,5-dimethyl-1,3-diazinan-2-one
PubChem CID124672563
Molecular FormulaC12H20N2O
Molecular Weight208.30 g/mol
Exact Mass208.16
IUPAC Name(5S)-1-[(1R)-cyclohex-2-en-1-yl]-3,5-dimethyl-1,3-diazinan-2-one
SMILESC[C@H]1CN(C)C(=O)N([C@H]2C=CCCC2)C1
InChIInChI=1S/C12H20N2O/c1-10-8-13(2)12(15)14(9-10)11-6-4-3-5-7-11/h4,6,10-11H,3,5,7-9H2,1-2H3/t10-,11-/m0/s1
InChIKeyQYAAMAJOFNKYLZ-QWRGUYRKSA-N
XLogP2.10
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5S)-1-[(1R)-cyclohex-2-en-1-yl]-3,5-dimethyl-1,3-diazinan-2-one?
The IUPAC name of (5S)-1-[(1R)-cyclohex-2-en-1-yl]-3,5-dimethyl-1,3-diazinan-2-one (CID 124672563) is (5S)-1-[(1R)-cyclohex-2-en-1-yl]-3,5-dimethyl-1,3-diazinan-2-one.
What is the SMILES notation for (5S)-1-[(1R)-cyclohex-2-en-1-yl]-3,5-dimethyl-1,3-diazinan-2-one?
The canonical SMILES for (5S)-1-[(1R)-cyclohex-2-en-1-yl]-3,5-dimethyl-1,3-diazinan-2-one is C[C@H]1CN(C)C(=O)N([C@H]2C=CCCC2)C1.
What is the InChIKey of (5S)-1-[(1R)-cyclohex-2-en-1-yl]-3,5-dimethyl-1,3-diazinan-2-one?
The InChIKey is QYAAMAJOFNKYLZ-QWRGUYRKSA-N. The full InChI is InChI=1S/C12H20N2O/c1-10-8-13(2)12(15)14(9-10)11-6-4-3-5-7-11/h4,6,10-11H,3,5,7-9H2,1-2H3/t10-,11-/m0/s1.
What are the key properties of (5S)-1-[(1R)-cyclohex-2-en-1-yl]-3,5-dimethyl-1,3-diazinan-2-one?
(5S)-1-[(1R)-cyclohex-2-en-1-yl]-3,5-dimethyl-1,3-diazinan-2-one has a molecular weight of 208.30 g/mol, XLogP of 2.10, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-1-[(1R)-cyclohex-2-en-1-yl]-3,5-dimethyl-1,3-diazinan-2-one is sourced from PubChem (CID 124672563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).