ethane;N-[(Z)-2-methyliminohex-3-enyl]acetamide

C11H22N2O — CID 143430516

IUPACethane;N-[(Z)-2-methyliminohex-3-enyl]acetamide
SMILESCC.CC/C=C\C(CNC(C)=O)=N/C
InChIInChI=1S/C9H16N2O.C2H6/c1-4-5-6-9(10-3)7-11-8(2)12;1-2/h5-6H,4,7H2,1-3H3,(H,11,12);1-2H3/b6-5-,10-9+;
InChIKeyIOOKUMIZOYQQMY-XVEVBVCDSA-N
MW198.31 g/mol
LogP2.19
Rot. Bonds4

About ethane;N-[(Z)-2-methyliminohex-3-enyl]acetamide

ethane;N-[(Z)-2-methyliminohex-3-enyl]acetamide (PubChem CID 143430516) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is ethane;N-[(Z)-2-methyliminohex-3-enyl]acetamide.

Molecular Properties

Compound Nameethane;N-[(Z)-2-methyliminohex-3-enyl]acetamide
PubChem CID143430516
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Nameethane;N-[(Z)-2-methyliminohex-3-enyl]acetamide
SMILESCC.CC/C=C\C(CNC(C)=O)=N/C
InChIInChI=1S/C9H16N2O.C2H6/c1-4-5-6-9(10-3)7-11-8(2)12;1-2/h5-6H,4,7H2,1-3H3,(H,11,12);1-2H3/b6-5-,10-9+;
InChIKeyIOOKUMIZOYQQMY-XVEVBVCDSA-N
XLogP2.19
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 52.19
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;N-[(Z)-2-methyliminohex-3-enyl]acetamide?
The IUPAC name of ethane;N-[(Z)-2-methyliminohex-3-enyl]acetamide (CID 143430516) is ethane;N-[(Z)-2-methyliminohex-3-enyl]acetamide.
What is the SMILES notation for ethane;N-[(Z)-2-methyliminohex-3-enyl]acetamide?
The canonical SMILES for ethane;N-[(Z)-2-methyliminohex-3-enyl]acetamide is CC.CC/C=C\C(CNC(C)=O)=N/C.
What is the InChIKey of ethane;N-[(Z)-2-methyliminohex-3-enyl]acetamide?
The InChIKey is IOOKUMIZOYQQMY-XVEVBVCDSA-N. The full InChI is InChI=1S/C9H16N2O.C2H6/c1-4-5-6-9(10-3)7-11-8(2)12;1-2/h5-6H,4,7H2,1-3H3,(H,11,12);1-2H3/b6-5-,10-9+;.
What are the key properties of ethane;N-[(Z)-2-methyliminohex-3-enyl]acetamide?
ethane;N-[(Z)-2-methyliminohex-3-enyl]acetamide has a molecular weight of 198.31 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-[(Z)-2-methyliminohex-3-enyl]acetamide is sourced from PubChem (CID 143430516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).