ethane;(Z)-2-ethylimino-N-methylpent-3-enamide;molecular hydrogen

C10H22N2O — CID 168913345

IUPACethane;(Z)-2-ethylimino-N-methylpent-3-enamide;molecular hydrogen
SMILESC/C=C\C(=N/CC)C(=O)NC.CC.[H][H]
InChIInChI=1S/C8H14N2O.C2H6.H2/c1-4-6-7(10-5-2)8(11)9-3;1-2;/h4,6H,5H2,1-3H3,(H,9,11);1-2H3;1H/b6-4-,10-7+;;
InChIKeyGDLVNIWMXPJDIV-SYMZVGIASA-N
MW186.30 g/mol
LogP2.04
Rot. Bonds3

About ethane;(Z)-2-ethylimino-N-methylpent-3-enamide;molecular hydrogen

ethane;(Z)-2-ethylimino-N-methylpent-3-enamide;molecular hydrogen (PubChem CID 168913345) has the molecular formula C10H22N2O and a molecular weight of 186.30 g/mol. Its IUPAC name is ethane;(Z)-2-ethylimino-N-methylpent-3-enamide;molecular hydrogen.

Molecular Properties

Compound Nameethane;(Z)-2-ethylimino-N-methylpent-3-enamide;molecular hydrogen
PubChem CID168913345
Molecular FormulaC10H22N2O
Molecular Weight186.30 g/mol
Exact Mass186.17
IUPAC Nameethane;(Z)-2-ethylimino-N-methylpent-3-enamide;molecular hydrogen
SMILESC/C=C\C(=N/CC)C(=O)NC.CC.[H][H]
InChIInChI=1S/C8H14N2O.C2H6.H2/c1-4-6-7(10-5-2)8(11)9-3;1-2;/h4,6H,5H2,1-3H3,(H,9,11);1-2H3;1H/b6-4-,10-7+;;
InChIKeyGDLVNIWMXPJDIV-SYMZVGIASA-N
XLogP2.04
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.30
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethane;(Z)-2-ethylimino-N-methylpent-3-enamide;molecular hydrogen?
The IUPAC name of ethane;(Z)-2-ethylimino-N-methylpent-3-enamide;molecular hydrogen (CID 168913345) is ethane;(Z)-2-ethylimino-N-methylpent-3-enamide;molecular hydrogen.
What is the SMILES notation for ethane;(Z)-2-ethylimino-N-methylpent-3-enamide;molecular hydrogen?
The canonical SMILES for ethane;(Z)-2-ethylimino-N-methylpent-3-enamide;molecular hydrogen is C/C=C\C(=N/CC)C(=O)NC.CC.[H][H].
What is the InChIKey of ethane;(Z)-2-ethylimino-N-methylpent-3-enamide;molecular hydrogen?
The InChIKey is GDLVNIWMXPJDIV-SYMZVGIASA-N. The full InChI is InChI=1S/C8H14N2O.C2H6.H2/c1-4-6-7(10-5-2)8(11)9-3;1-2;/h4,6H,5H2,1-3H3,(H,9,11);1-2H3;1H/b6-4-,10-7+;;.
What are the key properties of ethane;(Z)-2-ethylimino-N-methylpent-3-enamide;molecular hydrogen?
ethane;(Z)-2-ethylimino-N-methylpent-3-enamide;molecular hydrogen has a molecular weight of 186.30 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(Z)-2-ethylimino-N-methylpent-3-enamide;molecular hydrogen is sourced from PubChem (CID 168913345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).