N-[(Z)-2-cyanobut-2-enyl]formamide;ethane

C8H14N2O — CID 143929292

IUPACN-[(Z)-2-cyanobut-2-enyl]formamide;ethane
SMILESC/C=C(\C#N)CNC=O.CC
InChIInChI=1S/C6H8N2O.C2H6/c1-2-6(3-7)4-8-5-9;1-2/h2,5H,4H2,1H3,(H,8,9);1-2H3/b6-2+;
InChIKeyXCXXHLXSJJGCGH-LKZNWTOYSA-N
MW154.21 g/mol
LogP1.23
Rot. Bonds3

About N-[(Z)-2-cyanobut-2-enyl]formamide;ethane

N-[(Z)-2-cyanobut-2-enyl]formamide;ethane (PubChem CID 143929292) has the molecular formula C8H14N2O and a molecular weight of 154.21 g/mol. Its IUPAC name is N-[(Z)-2-cyanobut-2-enyl]formamide;ethane.

Molecular Properties

Compound NameN-[(Z)-2-cyanobut-2-enyl]formamide;ethane
PubChem CID143929292
Molecular FormulaC8H14N2O
Molecular Weight154.21 g/mol
Exact Mass154.11
IUPAC NameN-[(Z)-2-cyanobut-2-enyl]formamide;ethane
SMILESC/C=C(\C#N)CNC=O.CC
InChIInChI=1S/C6H8N2O.C2H6/c1-2-6(3-7)4-8-5-9;1-2/h2,5H,4H2,1H3,(H,8,9);1-2H3/b6-2+;
InChIKeyXCXXHLXSJJGCGH-LKZNWTOYSA-N
XLogP1.23
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}

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Related Compounds

alpha-Dimethylaminomethylene-beta-formylaminopropionitrile
CID 54162718
N-[(E)-2-methylbut-2-enyl]formamide
CID 87382607
N-(2-cyanoprop-2-enyl)formamide
CID 87870927
N-[(Z)-2-cyano-3-(dimethylamino)prop-2-enyl]formamide
CID 88782242
N-(2-cyanobut-2-enyl)formamide
CID 91153785
N-(2-methylbut-2-enyl)formamide
CID 91575305
N-[(Z)-2-cyanobut-2-enyl]formamide
CID 143929293
N-[(2E,4E)-4-cyano-2-methylhexa-2,4-dienyl]formamide
CID 169197805

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-2-cyanobut-2-enyl]formamide;ethane?
The IUPAC name of N-[(Z)-2-cyanobut-2-enyl]formamide;ethane (CID 143929292) is N-[(Z)-2-cyanobut-2-enyl]formamide;ethane.
What is the SMILES notation for N-[(Z)-2-cyanobut-2-enyl]formamide;ethane?
The canonical SMILES for N-[(Z)-2-cyanobut-2-enyl]formamide;ethane is C/C=C(\C#N)CNC=O.CC.
What is the InChIKey of N-[(Z)-2-cyanobut-2-enyl]formamide;ethane?
The InChIKey is XCXXHLXSJJGCGH-LKZNWTOYSA-N. The full InChI is InChI=1S/C6H8N2O.C2H6/c1-2-6(3-7)4-8-5-9;1-2/h2,5H,4H2,1H3,(H,8,9);1-2H3/b6-2+;.
What are the key properties of N-[(Z)-2-cyanobut-2-enyl]formamide;ethane?
N-[(Z)-2-cyanobut-2-enyl]formamide;ethane has a molecular weight of 154.21 g/mol, XLogP of 1.23, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-2-cyanobut-2-enyl]formamide;ethane is sourced from PubChem (CID 143929292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).