(2E)-2-ethenyl-4-hydroxypenta-2,4-dienimidamide

C7H10N2O — CID 142200676

IUPAC(2E)-2-ethenyl-4-hydroxypenta-2,4-dienimidamide
SMILES[H]/N=C(N)/C(C=C)=C/C(=C)O
InChIInChI=1S/C7H10N2O/c1-3-6(7(8)9)4-5(2)10/h3-4,10H,1-2H2,(H3,8,9)/b6-4+
InChIKeyIEKXHEQTHINTGJ-GQCTYLIASA-N
MW138.17 g/mol
LogP1.11
Rot. Bonds3

About (2E)-2-ethenyl-4-hydroxypenta-2,4-dienimidamide

(2E)-2-ethenyl-4-hydroxypenta-2,4-dienimidamide (PubChem CID 142200676) has the molecular formula C7H10N2O and a molecular weight of 138.17 g/mol. Its IUPAC name is (2E)-2-ethenyl-4-hydroxypenta-2,4-dienimidamide.

Molecular Properties

Compound Name(2E)-2-ethenyl-4-hydroxypenta-2,4-dienimidamide
PubChem CID142200676
Molecular FormulaC7H10N2O
Molecular Weight138.17 g/mol
Exact Mass138.08
IUPAC Name(2E)-2-ethenyl-4-hydroxypenta-2,4-dienimidamide
SMILES[H]/N=C(N)/C(C=C)=C/C(=C)O
InChIInChI=1S/C7H10N2O/c1-3-6(7(8)9)4-5(2)10/h3-4,10H,1-2H2,(H3,8,9)/b6-4+
InChIKeyIEKXHEQTHINTGJ-GQCTYLIASA-N
XLogP1.11
TPSA70.10 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.17
LogP ≤ 51.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

ethane;(3E)-3-ethenyl-5-hydroxyhexa-3,5-dien-2-one
CID 169155574
ethane;(Z,2E)-2-prop-2-enylidenehex-3-enimidamide
CID 142843946
(3E)-3-ethenyl-5-methylhexa-3,5-dien-2-imine
CID 143846998
ethanediimidamide;trihydrochloride
CID 139639987
2-ethenyl-5-imino-4-methylidenehex-2-enoic acid
CID 123678860
(2Z,4E,6E)-4-amino-5-hydroxy-2,3-dimethyl-6-[(methylideneamino)methylidene]octa-2,4,7-trienimidoyl chloride
CID 169189927
(2Z)-4-chloro-2-(1-fluoroethenyl)penta-2,4-dienimidamide
CID 143207214
1,1-bis(ethenyl)guanidine
CID 174821814
3-ethenyl-5-methylhepta-3,5-dien-2-imine
CID 90864895
(3E)-4-chlorohexa-1,3,5-trien-2-ol
CID 89259712
(3Z)-4-amino-4-(methylideneamino)buta-1,3-dien-2-ol
CID 170703461
1-ethenyl-1-hydroxyguanidine;hydrochloride
CID 174443893

Frequently Asked Questions

What is the IUPAC name of (2E)-2-ethenyl-4-hydroxypenta-2,4-dienimidamide?
The IUPAC name of (2E)-2-ethenyl-4-hydroxypenta-2,4-dienimidamide (CID 142200676) is (2E)-2-ethenyl-4-hydroxypenta-2,4-dienimidamide.
What is the SMILES notation for (2E)-2-ethenyl-4-hydroxypenta-2,4-dienimidamide?
The canonical SMILES for (2E)-2-ethenyl-4-hydroxypenta-2,4-dienimidamide is [H]/N=C(N)/C(C=C)=C/C(=C)O.
What is the InChIKey of (2E)-2-ethenyl-4-hydroxypenta-2,4-dienimidamide?
The InChIKey is IEKXHEQTHINTGJ-GQCTYLIASA-N. The full InChI is InChI=1S/C7H10N2O/c1-3-6(7(8)9)4-5(2)10/h3-4,10H,1-2H2,(H3,8,9)/b6-4+.
What are the key properties of (2E)-2-ethenyl-4-hydroxypenta-2,4-dienimidamide?
(2E)-2-ethenyl-4-hydroxypenta-2,4-dienimidamide has a molecular weight of 138.17 g/mol, XLogP of 1.11, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-ethenyl-4-hydroxypenta-2,4-dienimidamide is sourced from PubChem (CID 142200676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).