(E)-2-formyl-N'-methylpent-2-enimidamide

C7H12N2O — CID 176699562

IUPAC(E)-2-formyl-N'-methylpent-2-enimidamide
SMILESCC/C=C(C=O)\C(N)=N\C
InChIInChI=1S/C7H12N2O/c1-3-4-6(5-10)7(8)9-2/h4-5H,3H2,1-2H3,(H2,8,9)/b6-4-
InChIKeyPBKYRLHBQPYQCY-XQRVVYSFSA-N
MW140.19 g/mol
LogP0.51
Rot. Bonds3

About (E)-2-formyl-N'-methylpent-2-enimidamide

(E)-2-formyl-N'-methylpent-2-enimidamide (PubChem CID 176699562) has the molecular formula C7H12N2O and a molecular weight of 140.19 g/mol. Its IUPAC name is (E)-2-formyl-N'-methylpent-2-enimidamide.

Molecular Properties

Compound Name(E)-2-formyl-N'-methylpent-2-enimidamide
PubChem CID176699562
Molecular FormulaC7H12N2O
Molecular Weight140.19 g/mol
Exact Mass140.09
IUPAC Name(E)-2-formyl-N'-methylpent-2-enimidamide
SMILESCC/C=C(C=O)\C(N)=N\C
InChIInChI=1S/C7H12N2O/c1-3-4-6(5-10)7(8)9-2/h4-5H,3H2,1-2H3,(H2,8,9)/b6-4-
InChIKeyPBKYRLHBQPYQCY-XQRVVYSFSA-N
XLogP0.51
TPSA55.45 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.19
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-N-(diaminomethylidene)-2-methylpent-2-enamide
CID 90783206
(E)-3-ethenyl-2-oxohex-3-enal
CID 143240518
(Z)-2-bromopent-2-enal
CID 16664496
(Z)-2-aminopent-2-enamide
CID 19089602
(Z)-2-(methylamino)pent-2-enal
CID 144647822
2-methylpent-2-enamide
CID 66895957
(Z)-hex-3-en-3-amine
CID 18331654
methanamine;(Z)-pent-2-en-2-amine
CID 145487101
(E)-1-fluorobut-1-en-1-amine
CID 174005766
(E)-N-methyl-2-[(E)-1-oxobut-2-en-2-yl]pent-2-enamide
CID 155586145
N'-[(E)-pent-2-en-2-yl]ethanimidamide
CID 123500479
(Z)-5-methylidenehept-3-en-4-amine
CID 162685549

Frequently Asked Questions

What is the IUPAC name of (E)-2-formyl-N'-methylpent-2-enimidamide?
The IUPAC name of (E)-2-formyl-N'-methylpent-2-enimidamide (CID 176699562) is (E)-2-formyl-N'-methylpent-2-enimidamide.
What is the SMILES notation for (E)-2-formyl-N'-methylpent-2-enimidamide?
The canonical SMILES for (E)-2-formyl-N'-methylpent-2-enimidamide is CC/C=C(C=O)\C(N)=N\C.
What is the InChIKey of (E)-2-formyl-N'-methylpent-2-enimidamide?
The InChIKey is PBKYRLHBQPYQCY-XQRVVYSFSA-N. The full InChI is InChI=1S/C7H12N2O/c1-3-4-6(5-10)7(8)9-2/h4-5H,3H2,1-2H3,(H2,8,9)/b6-4-.
What are the key properties of (E)-2-formyl-N'-methylpent-2-enimidamide?
(E)-2-formyl-N'-methylpent-2-enimidamide has a molecular weight of 140.19 g/mol, XLogP of 0.51, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-formyl-N'-methylpent-2-enimidamide is sourced from PubChem (CID 176699562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).