N-[(E)-2,3-dimethylbut-1-enyl]-N-methylacetamide

C9H17NO — CID 177234095

IUPACN-[(E)-2,3-dimethylbut-1-enyl]-N-methylacetamide
SMILESCC(=O)N(C)/C=C(\C)C(C)C
InChIInChI=1S/C9H17NO/c1-7(2)8(3)6-10(5)9(4)11/h6-7H,1-5H3/b8-6+
InChIKeyZLHZCXGLEQZKQM-SOFGYWHQSA-N
MW155.24 g/mol
LogP2.02
Rot. Bonds2

About N-[(E)-2,3-dimethylbut-1-enyl]-N-methylacetamide

N-[(E)-2,3-dimethylbut-1-enyl]-N-methylacetamide (PubChem CID 177234095) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is N-[(E)-2,3-dimethylbut-1-enyl]-N-methylacetamide.

Molecular Properties

Compound NameN-[(E)-2,3-dimethylbut-1-enyl]-N-methylacetamide
PubChem CID177234095
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC NameN-[(E)-2,3-dimethylbut-1-enyl]-N-methylacetamide
SMILESCC(=O)N(C)/C=C(\C)C(C)C
InChIInChI=1S/C9H17NO/c1-7(2)8(3)6-10(5)9(4)11/h6-7H,1-5H3/b8-6+
InChIKeyZLHZCXGLEQZKQM-SOFGYWHQSA-N
XLogP2.02
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-2,3-dimethylbut-1-enyl]-N-methylacetamide?
The IUPAC name of N-[(E)-2,3-dimethylbut-1-enyl]-N-methylacetamide (CID 177234095) is N-[(E)-2,3-dimethylbut-1-enyl]-N-methylacetamide.
What is the SMILES notation for N-[(E)-2,3-dimethylbut-1-enyl]-N-methylacetamide?
The canonical SMILES for N-[(E)-2,3-dimethylbut-1-enyl]-N-methylacetamide is CC(=O)N(C)/C=C(\C)C(C)C.
What is the InChIKey of N-[(E)-2,3-dimethylbut-1-enyl]-N-methylacetamide?
The InChIKey is ZLHZCXGLEQZKQM-SOFGYWHQSA-N. The full InChI is InChI=1S/C9H17NO/c1-7(2)8(3)6-10(5)9(4)11/h6-7H,1-5H3/b8-6+.
What are the key properties of N-[(E)-2,3-dimethylbut-1-enyl]-N-methylacetamide?
N-[(E)-2,3-dimethylbut-1-enyl]-N-methylacetamide has a molecular weight of 155.24 g/mol, XLogP of 2.02, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-2,3-dimethylbut-1-enyl]-N-methylacetamide is sourced from PubChem (CID 177234095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).