N-[(2Z)-2-(methylideneamino)penta-2,4-dienyl]acetamide;molecular hydrogen

C8H14N2O — CID 144511423

IUPACN-[(2Z)-2-(methylideneamino)penta-2,4-dienyl]acetamide;molecular hydrogen
SMILESC=C/C=C(/CNC(C)=O)N=C.[H][H]
InChIInChI=1S/C8H12N2O.H2/c1-4-5-8(9-3)6-10-7(2)11;/h4-5H,1,3,6H2,2H3,(H,10,11);1H/b8-5-;
InChIKeyXNTYXFRBXKUVSD-HGKIGUAWSA-N
MW154.21 g/mol
LogP1.14
Rot. Bonds4

About N-[(2Z)-2-(methylideneamino)penta-2,4-dienyl]acetamide;molecular hydrogen

N-[(2Z)-2-(methylideneamino)penta-2,4-dienyl]acetamide;molecular hydrogen (PubChem CID 144511423) has the molecular formula C8H14N2O and a molecular weight of 154.21 g/mol. Its IUPAC name is N-[(2Z)-2-(methylideneamino)penta-2,4-dienyl]acetamide;molecular hydrogen.

Molecular Properties

Compound NameN-[(2Z)-2-(methylideneamino)penta-2,4-dienyl]acetamide;molecular hydrogen
PubChem CID144511423
Molecular FormulaC8H14N2O
Molecular Weight154.21 g/mol
Exact Mass154.11
IUPAC NameN-[(2Z)-2-(methylideneamino)penta-2,4-dienyl]acetamide;molecular hydrogen
SMILESC=C/C=C(/CNC(C)=O)N=C.[H][H]
InChIInChI=1S/C8H12N2O.H2/c1-4-5-8(9-3)6-10-7(2)11;/h4-5H,1,3,6H2,2H3,(H,10,11);1H/b8-5-;
InChIKeyXNTYXFRBXKUVSD-HGKIGUAWSA-N
XLogP1.14
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-4,4,4-trifluoro-3-methyl-N-[(2Z)-2-(methylideneamino)penta-2,4-dienyl]but-2-enamide
CID 148036794
N-[2-(buta-1,3-dien-2-ylamino)ethyl]prop-2-enamide
CID 57540432
1-[2-(Methylamino)ethyl]-5-methylidenepyrrol-2-one
CID 89242522
N-[(3Z,5E)-6-amino-5-(methylamino)hexa-1,3,5-trien-2-yl]acetamide
CID 89341013
(5E)-6-methylidene-5-prop-2-enylidenepyrazin-2-one
CID 117932079
(6E)-5-methylidene-6-prop-2-enylidenepyrazin-2-one
CID 117932083
2-amino-N-hexa-1,3,5-trien-3-ylacetamide
CID 123522269
N-[(2Z,4Z)-2-(methylideneamino)hexa-2,4-dienyl]acetamide
CID 129262304
N-[2-(dimethylamino)ethyl]-N-[(2E,4Z)-5-(methylamino)hexa-2,4-dien-2-yl]acetamide
CID 134406062
2-(ethylamino)-N-[(2E,4Z)-2-methyl-5-(methylideneamino)hexa-2,4-dienyl]acetamide
CID 134406206
N-[(1E,3Z)-4-aminopenta-1,3-dienyl]-N-[2-(methylamino)ethyl]acetamide
CID 134406573
N-[2-(methylamino)ethyl]-N-(1-methyl-2H-pyridin-3-yl)acetamide
CID 134406638

Frequently Asked Questions

What is the IUPAC name of N-[(2Z)-2-(methylideneamino)penta-2,4-dienyl]acetamide;molecular hydrogen?
The IUPAC name of N-[(2Z)-2-(methylideneamino)penta-2,4-dienyl]acetamide;molecular hydrogen (CID 144511423) is N-[(2Z)-2-(methylideneamino)penta-2,4-dienyl]acetamide;molecular hydrogen.
What is the SMILES notation for N-[(2Z)-2-(methylideneamino)penta-2,4-dienyl]acetamide;molecular hydrogen?
The canonical SMILES for N-[(2Z)-2-(methylideneamino)penta-2,4-dienyl]acetamide;molecular hydrogen is C=C/C=C(/CNC(C)=O)N=C.[H][H].
What is the InChIKey of N-[(2Z)-2-(methylideneamino)penta-2,4-dienyl]acetamide;molecular hydrogen?
The InChIKey is XNTYXFRBXKUVSD-HGKIGUAWSA-N. The full InChI is InChI=1S/C8H12N2O.H2/c1-4-5-8(9-3)6-10-7(2)11;/h4-5H,1,3,6H2,2H3,(H,10,11);1H/b8-5-;.
What are the key properties of N-[(2Z)-2-(methylideneamino)penta-2,4-dienyl]acetamide;molecular hydrogen?
N-[(2Z)-2-(methylideneamino)penta-2,4-dienyl]acetamide;molecular hydrogen has a molecular weight of 154.21 g/mol, XLogP of 1.14, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2Z)-2-(methylideneamino)penta-2,4-dienyl]acetamide;molecular hydrogen is sourced from PubChem (CID 144511423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).