ethane;(2Z)-2-(methylideneamino)penta-2,4-dienamide

C8H14N2O — CID 144623229

IUPACethane;(2Z)-2-(methylideneamino)penta-2,4-dienamide
SMILESC=C/C=C(\N=C)C(N)=O.CC
InChIInChI=1S/C6H8N2O.C2H6/c1-3-4-5(8-2)6(7)9;1-2/h3-4H,1-2H2,(H2,7,9);1-2H3/b5-4-;
InChIKeyAAKBSIOUGHUQCA-MKWAYWHRSA-N
MW154.21 g/mol
LogP1.27
Rot. Bonds3

About ethane;(2Z)-2-(methylideneamino)penta-2,4-dienamide

ethane;(2Z)-2-(methylideneamino)penta-2,4-dienamide (PubChem CID 144623229) has the molecular formula C8H14N2O and a molecular weight of 154.21 g/mol. Its IUPAC name is ethane;(2Z)-2-(methylideneamino)penta-2,4-dienamide.

Molecular Properties

Compound Nameethane;(2Z)-2-(methylideneamino)penta-2,4-dienamide
PubChem CID144623229
Molecular FormulaC8H14N2O
Molecular Weight154.21 g/mol
Exact Mass154.11
IUPAC Nameethane;(2Z)-2-(methylideneamino)penta-2,4-dienamide
SMILESC=C/C=C(\N=C)C(N)=O.CC
InChIInChI=1S/C6H8N2O.C2H6/c1-3-4-5(8-2)6(7)9;1-2/h3-4H,1-2H2,(H2,7,9);1-2H3/b5-4-;
InChIKeyAAKBSIOUGHUQCA-MKWAYWHRSA-N
XLogP1.27
TPSA55.45 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(2Z)-2-aminopenta-2,4-dienamide
CID 88558803
ethane;N-[(3E,5Z)-5-ethenylhepta-1,3,5-trien-4-yl]methanimine;2-methylpropane
CID 178046177
(2E)-2-(methyliminomethyl)penta-2,4-dienamide
CID 143715674
N-[(3E,5E)-5-methoxyhepta-1,3,5-trien-4-yl]methanimine
CID 145152774
2-(methylideneamino)-2-methyliminoacetamide
CID 144793712
(3E,5E)-5-amino-3-ethenyl-2-oxoocta-3,5,7-trienoic acid;ethane
CID 143019358
N-[(3E)-2-aminohexa-1,3,5-trien-3-yl]acetamide;ethane
CID 143930163
ethane;methane;[(2E)-1-methyliminopenta-2,4-dien-2-yl]urea;molecular hydrogen
CID 143290787
but-3-en-2-one;hydrochloride
CID 172746503
ethane;(2Z)-penta-2,4-dienamide
CID 143902044
N-hexa-3,5-dien-3-ylmethanimine
CID 123675398
N-[(2Z)-penta-2,4-dien-2-yl]methanimine;propane
CID 171626628

Frequently Asked Questions

What is the IUPAC name of ethane;(2Z)-2-(methylideneamino)penta-2,4-dienamide?
The IUPAC name of ethane;(2Z)-2-(methylideneamino)penta-2,4-dienamide (CID 144623229) is ethane;(2Z)-2-(methylideneamino)penta-2,4-dienamide.
What is the SMILES notation for ethane;(2Z)-2-(methylideneamino)penta-2,4-dienamide?
The canonical SMILES for ethane;(2Z)-2-(methylideneamino)penta-2,4-dienamide is C=C/C=C(\N=C)C(N)=O.CC.
What is the InChIKey of ethane;(2Z)-2-(methylideneamino)penta-2,4-dienamide?
The InChIKey is AAKBSIOUGHUQCA-MKWAYWHRSA-N. The full InChI is InChI=1S/C6H8N2O.C2H6/c1-3-4-5(8-2)6(7)9;1-2/h3-4H,1-2H2,(H2,7,9);1-2H3/b5-4-;.
What are the key properties of ethane;(2Z)-2-(methylideneamino)penta-2,4-dienamide?
ethane;(2Z)-2-(methylideneamino)penta-2,4-dienamide has a molecular weight of 154.21 g/mol, XLogP of 1.27, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(2Z)-2-(methylideneamino)penta-2,4-dienamide is sourced from PubChem (CID 144623229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).