N-ethenyl-2-methyl-N-(3-methylbut-2-enyl)propanamide

C11H19NO — CID 88928060

IUPACN-ethenyl-2-methyl-N-(3-methylbut-2-enyl)propanamide
SMILESC=CN(CC=C(C)C)C(=O)C(C)C
InChIInChI=1S/C11H19NO/c1-6-12(8-7-9(2)3)11(13)10(4)5/h6-7,10H,1,8H2,2-5H3
InChIKeyQNLBYMYCVPOGPT-UHFFFAOYSA-N
MW181.28 g/mol
LogP2.58
Rot. Bonds4

About N-ethenyl-2-methyl-N-(3-methylbut-2-enyl)propanamide

N-ethenyl-2-methyl-N-(3-methylbut-2-enyl)propanamide (PubChem CID 88928060) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is N-ethenyl-2-methyl-N-(3-methylbut-2-enyl)propanamide.

Molecular Properties

Compound NameN-ethenyl-2-methyl-N-(3-methylbut-2-enyl)propanamide
PubChem CID88928060
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC NameN-ethenyl-2-methyl-N-(3-methylbut-2-enyl)propanamide
SMILESC=CN(CC=C(C)C)C(=O)C(C)C
InChIInChI=1S/C11H19NO/c1-6-12(8-7-9(2)3)11(13)10(4)5/h6-7,10H,1,8H2,2-5H3
InChIKeyQNLBYMYCVPOGPT-UHFFFAOYSA-N
XLogP2.58
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-ethenyl-2-methyl-N-(3-methylbut-2-enyl)propanamide?
The IUPAC name of N-ethenyl-2-methyl-N-(3-methylbut-2-enyl)propanamide (CID 88928060) is N-ethenyl-2-methyl-N-(3-methylbut-2-enyl)propanamide.
What is the SMILES notation for N-ethenyl-2-methyl-N-(3-methylbut-2-enyl)propanamide?
The canonical SMILES for N-ethenyl-2-methyl-N-(3-methylbut-2-enyl)propanamide is C=CN(CC=C(C)C)C(=O)C(C)C.
What is the InChIKey of N-ethenyl-2-methyl-N-(3-methylbut-2-enyl)propanamide?
The InChIKey is QNLBYMYCVPOGPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c1-6-12(8-7-9(2)3)11(13)10(4)5/h6-7,10H,1,8H2,2-5H3.
What are the key properties of N-ethenyl-2-methyl-N-(3-methylbut-2-enyl)propanamide?
N-ethenyl-2-methyl-N-(3-methylbut-2-enyl)propanamide has a molecular weight of 181.28 g/mol, XLogP of 2.58, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethenyl-2-methyl-N-(3-methylbut-2-enyl)propanamide is sourced from PubChem (CID 88928060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).