N-but-3-en-2-yl-2,2-dimethylpropanamide

C9H17NO — CID 112698624

IUPACN-but-3-en-2-yl-2,2-dimethylpropanamide
SMILESC=CC(C)NC(=O)C(C)(C)C
InChIInChI=1S/C9H17NO/c1-6-7(2)10-8(11)9(3,4)5/h6-7H,1H2,2-5H3,(H,10,11)
InChIKeyKFJMZFIFVDCNJU-UHFFFAOYSA-N
MW155.24 g/mol
LogP1.72
Rot. Bonds2

About N-but-3-en-2-yl-2,2-dimethylpropanamide

N-but-3-en-2-yl-2,2-dimethylpropanamide (PubChem CID 112698624) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is N-but-3-en-2-yl-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-but-3-en-2-yl-2,2-dimethylpropanamide
PubChem CID112698624
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC NameN-but-3-en-2-yl-2,2-dimethylpropanamide
SMILESC=CC(C)NC(=O)C(C)(C)C
InChIInChI=1S/C9H17NO/c1-6-7(2)10-8(11)9(3,4)5/h6-7H,1H2,2-5H3,(H,10,11)
InChIKeyKFJMZFIFVDCNJU-UHFFFAOYSA-N
XLogP1.72
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.72
H-Bond Donors ≤ 51
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-but-3-en-2-yl-2,2-dimethylpropanamide?
The IUPAC name of N-but-3-en-2-yl-2,2-dimethylpropanamide (CID 112698624) is N-but-3-en-2-yl-2,2-dimethylpropanamide.
What is the SMILES notation for N-but-3-en-2-yl-2,2-dimethylpropanamide?
The canonical SMILES for N-but-3-en-2-yl-2,2-dimethylpropanamide is C=CC(C)NC(=O)C(C)(C)C.
What is the InChIKey of N-but-3-en-2-yl-2,2-dimethylpropanamide?
The InChIKey is KFJMZFIFVDCNJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-6-7(2)10-8(11)9(3,4)5/h6-7H,1H2,2-5H3,(H,10,11).
What are the key properties of N-but-3-en-2-yl-2,2-dimethylpropanamide?
N-but-3-en-2-yl-2,2-dimethylpropanamide has a molecular weight of 155.24 g/mol, XLogP of 1.72, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-3-en-2-yl-2,2-dimethylpropanamide is sourced from PubChem (CID 112698624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).