(2E)-2-(methyliminomethyl)penta-2,4-dienamide

C7H10N2O — CID 143715674

IUPAC(2E)-2-(methyliminomethyl)penta-2,4-dienamide
SMILESC=C/C=C(\C=N\C)C(N)=O
InChIInChI=1S/C7H10N2O/c1-3-4-6(5-9-2)7(8)10/h3-5H,1H2,2H3,(H2,8,10)/b6-4+,9-5+
InChIKeyHSEIRTYQIGNHOD-REZHQCRGSA-N
MW138.17 g/mol
LogP0.28
Rot. Bonds3

About (2E)-2-(methyliminomethyl)penta-2,4-dienamide

(2E)-2-(methyliminomethyl)penta-2,4-dienamide (PubChem CID 143715674) has the molecular formula C7H10N2O and a molecular weight of 138.17 g/mol. Its IUPAC name is (2E)-2-(methyliminomethyl)penta-2,4-dienamide.

Molecular Properties

Compound Name(2E)-2-(methyliminomethyl)penta-2,4-dienamide
PubChem CID143715674
Molecular FormulaC7H10N2O
Molecular Weight138.17 g/mol
Exact Mass138.08
IUPAC Name(2E)-2-(methyliminomethyl)penta-2,4-dienamide
SMILESC=C/C=C(\C=N\C)C(N)=O
InChIInChI=1S/C7H10N2O/c1-3-4-6(5-9-2)7(8)10/h3-5H,1H2,2H3,(H2,8,10)/b6-4+,9-5+
InChIKeyHSEIRTYQIGNHOD-REZHQCRGSA-N
XLogP0.28
TPSA55.45 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.17
LogP ≤ 50.28
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

ethane;methane;[(2E)-1-methyliminopenta-2,4-dien-2-yl]urea;molecular hydrogen
CID 143290787
[(2E)-2-carbamoylpenta-2,4-dienylidene]-(2-oxopropyl)azanium
CID 143480865
(E,2E,3Z)-3-ethylidene-N-methyl-2-prop-2-enylidenehept-4-en-1-imine
CID 142143345
(2Z)-2-aminopenta-2,4-dienamide
CID 88558803
(3E,5E)-6-methyl-7-methylimino-5-prop-1-en-2-ylhepta-1,3,5-trien-4-amine
CID 156736104
ethane;(2Z)-2-(methylideneamino)penta-2,4-dienamide
CID 144623229
(3E,5E)-5-amino-3-ethenyl-2-oxoocta-3,5,7-trienoic acid;ethane
CID 143019358
CID 89152245
CID 89152245
(2E,3Z)-2-(2-methyliminoethylidene)hexa-3,5-dienoic acid
CID 146912098
methyl 3-amino-2-(methyliminomethyl)prop-2-enoate
CID 152783234
(2E)-2-[(E)-2-fluoroethenyl]-N-methylpenta-2,4-dien-1-imine
CID 163583953
ethane;(3E,6E)-4-ethenyl-6-[(Z)-prop-1-enyl]nona-1,3,6,8-tetraen-5-one
CID 142285678

Frequently Asked Questions

What is the IUPAC name of (2E)-2-(methyliminomethyl)penta-2,4-dienamide?
The IUPAC name of (2E)-2-(methyliminomethyl)penta-2,4-dienamide (CID 143715674) is (2E)-2-(methyliminomethyl)penta-2,4-dienamide.
What is the SMILES notation for (2E)-2-(methyliminomethyl)penta-2,4-dienamide?
The canonical SMILES for (2E)-2-(methyliminomethyl)penta-2,4-dienamide is C=C/C=C(\C=N\C)C(N)=O.
What is the InChIKey of (2E)-2-(methyliminomethyl)penta-2,4-dienamide?
The InChIKey is HSEIRTYQIGNHOD-REZHQCRGSA-N. The full InChI is InChI=1S/C7H10N2O/c1-3-4-6(5-9-2)7(8)10/h3-5H,1H2,2H3,(H2,8,10)/b6-4+,9-5+.
What are the key properties of (2E)-2-(methyliminomethyl)penta-2,4-dienamide?
(2E)-2-(methyliminomethyl)penta-2,4-dienamide has a molecular weight of 138.17 g/mol, XLogP of 0.28, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-(methyliminomethyl)penta-2,4-dienamide is sourced from PubChem (CID 143715674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).