(4E,5Z)-5-(aminomethylidene)-4-ethylidene-1-methyl-1,3-diazinan-2-one;ethane

C14H31N3O — CID 143228257

IUPAC(4E,5Z)-5-(aminomethylidene)-4-ethylidene-1-methyl-1,3-diazinan-2-one;ethane
SMILESC/C=C1/NC(=O)N(C)C/C1=C/N.CC.CC.CC
InChIInChI=1S/C8H13N3O.3C2H6/c1-3-7-6(4-9)5-11(2)8(12)10-7;3*1-2/h3-4H,5,9H2,1-2H3,(H,10,12);3*1-2H3/b6-4-,7-3+;;;
InChIKeyQRYBSPIDDGNLJM-FQXJEGKZSA-N
MW257.42 g/mol
LogP3.47
Rot. Bonds

About (4E,5Z)-5-(aminomethylidene)-4-ethylidene-1-methyl-1,3-diazinan-2-one;ethane

(4E,5Z)-5-(aminomethylidene)-4-ethylidene-1-methyl-1,3-diazinan-2-one;ethane (PubChem CID 143228257) has the molecular formula C14H31N3O and a molecular weight of 257.42 g/mol. Its IUPAC name is (4E,5Z)-5-(aminomethylidene)-4-ethylidene-1-methyl-1,3-diazinan-2-one;ethane.

Molecular Properties

Compound Name(4E,5Z)-5-(aminomethylidene)-4-ethylidene-1-methyl-1,3-diazinan-2-one;ethane
PubChem CID143228257
Molecular FormulaC14H31N3O
Molecular Weight257.42 g/mol
Exact Mass257.25
IUPAC Name(4E,5Z)-5-(aminomethylidene)-4-ethylidene-1-methyl-1,3-diazinan-2-one;ethane
SMILESC/C=C1/NC(=O)N(C)C/C1=C/N.CC.CC.CC
InChIInChI=1S/C8H13N3O.3C2H6/c1-3-7-6(4-9)5-11(2)8(12)10-7;3*1-2/h3-4H,5,9H2,1-2H3,(H,10,12);3*1-2H3/b6-4-,7-3+;;;
InChIKeyQRYBSPIDDGNLJM-FQXJEGKZSA-N
XLogP3.47
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.42
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-5-ethylideneimidazolidine-2,4-dione
CID 90202876
ethane;4-imino-1-methylimidazolidin-2-one
CID 142360748
(4Z,5E)-4,5-di(ethylidene)pyrrolidin-2-one;2,2-dimethylpropane
CID 142101189
1-methyl-4,5-dimethylidene-1,3-diazinan-2-one
CID 144546085
ethane;(3E,4E)-3-ethylidene-1-methyl-4-prop-2-enylidenepyrrolidin-2-one
CID 171627448
ethane;(4E,5Z)-5-ethylidene-1-methyl-4-prop-2-enylidene-1,3-diazinan-2-one;N-methyl-2-propylcyclohexa-1,5-diene-1-sulfinamide
CID 144546454
(5Z)-3-butyl-5-ethylideneimidazolidine-2,4-dione
CID 12767212
1-methyl-3,3-di(propan-2-yl)pyrrolidin-2-one
CID 150766000
ethane;3-methyl-1,4-dihydropyrido[3,4-d]pyrimidin-2-one
CID 143776228
(5Z,6E)-5-ethylidene-3-methyl-6-propylidene-1,3-oxazinan-2-one
CID 144547297
3,7-dimethyl-1,4-dihydropyrido[3,2-d]pyrimidin-2-one;ethane
CID 170981748
(4Z,5E)-4-(3,3-dimethyl-2-methylidenebutylidene)-5-ethylidenepyrrolidin-2-one
CID 166478127

Frequently Asked Questions

What is the IUPAC name of (4E,5Z)-5-(aminomethylidene)-4-ethylidene-1-methyl-1,3-diazinan-2-one;ethane?
The IUPAC name of (4E,5Z)-5-(aminomethylidene)-4-ethylidene-1-methyl-1,3-diazinan-2-one;ethane (CID 143228257) is (4E,5Z)-5-(aminomethylidene)-4-ethylidene-1-methyl-1,3-diazinan-2-one;ethane.
What is the SMILES notation for (4E,5Z)-5-(aminomethylidene)-4-ethylidene-1-methyl-1,3-diazinan-2-one;ethane?
The canonical SMILES for (4E,5Z)-5-(aminomethylidene)-4-ethylidene-1-methyl-1,3-diazinan-2-one;ethane is C/C=C1/NC(=O)N(C)C/C1=C/N.CC.CC.CC.
What is the InChIKey of (4E,5Z)-5-(aminomethylidene)-4-ethylidene-1-methyl-1,3-diazinan-2-one;ethane?
The InChIKey is QRYBSPIDDGNLJM-FQXJEGKZSA-N. The full InChI is InChI=1S/C8H13N3O.3C2H6/c1-3-7-6(4-9)5-11(2)8(12)10-7;3*1-2/h3-4H,5,9H2,1-2H3,(H,10,12);3*1-2H3/b6-4-,7-3+;;;.
What are the key properties of (4E,5Z)-5-(aminomethylidene)-4-ethylidene-1-methyl-1,3-diazinan-2-one;ethane?
(4E,5Z)-5-(aminomethylidene)-4-ethylidene-1-methyl-1,3-diazinan-2-one;ethane has a molecular weight of 257.42 g/mol, XLogP of 3.47, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4E,5Z)-5-(aminomethylidene)-4-ethylidene-1-methyl-1,3-diazinan-2-one;ethane is sourced from PubChem (CID 143228257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).