ethane;(Z)-4-iminopent-2-enamide

C7H14N2O — CID 167502745

IUPACethane;(Z)-4-iminopent-2-enamide
SMILESCC.[H]/N=C(C)/C=C\C(N)=O
InChIInChI=1S/C5H8N2O.C2H6/c1-4(6)2-3-5(7)8;1-2/h2-3,6H,1H3,(H2,7,8);1-2H3/b3-2-,6-4+;
InChIKeyYLCXFTTZYLHXNZ-KZYLVNJUSA-N
MW142.20 g/mol
LogP1.09
Rot. Bonds2

About ethane;(Z)-4-iminopent-2-enamide

ethane;(Z)-4-iminopent-2-enamide (PubChem CID 167502745) has the molecular formula C7H14N2O and a molecular weight of 142.20 g/mol. Its IUPAC name is ethane;(Z)-4-iminopent-2-enamide.

Molecular Properties

Compound Nameethane;(Z)-4-iminopent-2-enamide
PubChem CID167502745
Molecular FormulaC7H14N2O
Molecular Weight142.20 g/mol
Exact Mass142.11
IUPAC Nameethane;(Z)-4-iminopent-2-enamide
SMILESCC.[H]/N=C(C)/C=C\C(N)=O
InChIInChI=1S/C5H8N2O.C2H6/c1-4(6)2-3-5(7)8;1-2/h2-3,6H,1H3,(H2,7,8);1-2H3/b3-2-,6-4+;
InChIKeyYLCXFTTZYLHXNZ-KZYLVNJUSA-N
XLogP1.09
TPSA66.94 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethane;(Z)-4-iminopent-2-enamide?
The IUPAC name of ethane;(Z)-4-iminopent-2-enamide (CID 167502745) is ethane;(Z)-4-iminopent-2-enamide.
What is the SMILES notation for ethane;(Z)-4-iminopent-2-enamide?
The canonical SMILES for ethane;(Z)-4-iminopent-2-enamide is CC.[H]/N=C(C)/C=C\C(N)=O.
What is the InChIKey of ethane;(Z)-4-iminopent-2-enamide?
The InChIKey is YLCXFTTZYLHXNZ-KZYLVNJUSA-N. The full InChI is InChI=1S/C5H8N2O.C2H6/c1-4(6)2-3-5(7)8;1-2/h2-3,6H,1H3,(H2,7,8);1-2H3/b3-2-,6-4+;.
What are the key properties of ethane;(Z)-4-iminopent-2-enamide?
ethane;(Z)-4-iminopent-2-enamide has a molecular weight of 142.20 g/mol, XLogP of 1.09, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(Z)-4-iminopent-2-enamide is sourced from PubChem (CID 167502745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).