(6Z)-1-ethyl-6-(ethylaminomethylidene)-1,3-diazinan-2-one

C9H17N3O — CID 142817934

IUPAC(6Z)-1-ethyl-6-(ethylaminomethylidene)-1,3-diazinan-2-one
SMILESCCN/C=C1/CCNC(=O)N1CC
InChIInChI=1S/C9H17N3O/c1-3-10-7-8-5-6-11-9(13)12(8)4-2/h7,10H,3-6H2,1-2H3,(H,11,13)/b8-7-
InChIKeyPFTZZHIULWVTJO-FPLPWBNLSA-N
MW183.25 g/mol
LogP0.87
Rot. Bonds3

About (6Z)-1-ethyl-6-(ethylaminomethylidene)-1,3-diazinan-2-one

(6Z)-1-ethyl-6-(ethylaminomethylidene)-1,3-diazinan-2-one (PubChem CID 142817934) has the molecular formula C9H17N3O and a molecular weight of 183.25 g/mol. Its IUPAC name is (6Z)-1-ethyl-6-(ethylaminomethylidene)-1,3-diazinan-2-one.

Molecular Properties

Compound Name(6Z)-1-ethyl-6-(ethylaminomethylidene)-1,3-diazinan-2-one
PubChem CID142817934
Molecular FormulaC9H17N3O
Molecular Weight183.25 g/mol
Exact Mass183.14
IUPAC Name(6Z)-1-ethyl-6-(ethylaminomethylidene)-1,3-diazinan-2-one
SMILESCCN/C=C1/CCNC(=O)N1CC
InChIInChI=1S/C9H17N3O/c1-3-10-7-8-5-6-11-9(13)12(8)4-2/h7,10H,3-6H2,1-2H3,(H,11,13)/b8-7-
InChIKeyPFTZZHIULWVTJO-FPLPWBNLSA-N
XLogP0.87
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3,6,7,8-tetrahydro-2H-imidazo[1,5-c]pyrimidin-5-one
CID 55299903
4-Isopropyl-1-piperidin-4-yl-1,3-dihydro-2H-imidazol-2-one
CID 57979574
N-methyl-4-prop-1-en-2-ylpiperazine-1-carboxamide
CID 58542243
1-Methyl-4-methylidene-1,3-diazinan-2-one
CID 68062886
1-Propan-2-yl-3-(1-prop-1-en-2-ylpiperidin-4-yl)urea
CID 68267242
1,5-Dimethyl-4-methylidene-1,3-diazinan-2-one
CID 68338416
2,7-Dimethyl-3,6,7,8-tetrahydroimidazo[1,5-c]pyrimidin-5-one
CID 68368731
5-methyl-3-piperidin-4-yl-1H-imidazol-2-one
CID 68708473
4-Methylidene-1,3-diazinan-2-one
CID 70217417
1-Prop-1-en-2-yl-1,3-diazinan-2-one
CID 89665981
3-piperidin-4-yl-4-propan-2-yl-1H-imidazol-2-one
CID 91232765
N-[(Z)-3-aminopent-3-enyl]piperidine-1-carboxamide
CID 118524483

Frequently Asked Questions

What is the IUPAC name of (6Z)-1-ethyl-6-(ethylaminomethylidene)-1,3-diazinan-2-one?
The IUPAC name of (6Z)-1-ethyl-6-(ethylaminomethylidene)-1,3-diazinan-2-one (CID 142817934) is (6Z)-1-ethyl-6-(ethylaminomethylidene)-1,3-diazinan-2-one.
What is the SMILES notation for (6Z)-1-ethyl-6-(ethylaminomethylidene)-1,3-diazinan-2-one?
The canonical SMILES for (6Z)-1-ethyl-6-(ethylaminomethylidene)-1,3-diazinan-2-one is CCN/C=C1/CCNC(=O)N1CC.
What is the InChIKey of (6Z)-1-ethyl-6-(ethylaminomethylidene)-1,3-diazinan-2-one?
The InChIKey is PFTZZHIULWVTJO-FPLPWBNLSA-N. The full InChI is InChI=1S/C9H17N3O/c1-3-10-7-8-5-6-11-9(13)12(8)4-2/h7,10H,3-6H2,1-2H3,(H,11,13)/b8-7-.
What are the key properties of (6Z)-1-ethyl-6-(ethylaminomethylidene)-1,3-diazinan-2-one?
(6Z)-1-ethyl-6-(ethylaminomethylidene)-1,3-diazinan-2-one has a molecular weight of 183.25 g/mol, XLogP of 0.87, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6Z)-1-ethyl-6-(ethylaminomethylidene)-1,3-diazinan-2-one is sourced from PubChem (CID 142817934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).