N-methyl-N-phenylbuta-2,3-dienamide

C11H11NO — CID 12773177

IUPACN-methyl-N-phenylbuta-2,3-dienamide
SMILESC=C=CC(=O)N(C)c1ccccc1
InChIInChI=1S/C11H11NO/c1-3-7-11(13)12(2)10-8-5-4-6-9-10/h4-9H,1H2,2H3
InChIKeyITHMKGONFSUPDY-UHFFFAOYSA-N
MW173.21 g/mol
LogP1.99
Rot. Bonds2

About N-methyl-N-phenylbuta-2,3-dienamide

N-methyl-N-phenylbuta-2,3-dienamide (PubChem CID 12773177) has the molecular formula C11H11NO and a molecular weight of 173.21 g/mol. Its IUPAC name is N-methyl-N-phenylbuta-2,3-dienamide.

Molecular Properties

Compound NameN-methyl-N-phenylbuta-2,3-dienamide
PubChem CID12773177
Molecular FormulaC11H11NO
Molecular Weight173.21 g/mol
Exact Mass173.08
IUPAC NameN-methyl-N-phenylbuta-2,3-dienamide
SMILESC=C=CC(=O)N(C)c1ccccc1
InChIInChI=1S/C11H11NO/c1-3-7-11(13)12(2)10-8-5-4-6-9-10/h4-9H,1H2,2H3
InChIKeyITHMKGONFSUPDY-UHFFFAOYSA-N
XLogP1.99
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-phenylbuta-2,3-dienamide?
The IUPAC name of N-methyl-N-phenylbuta-2,3-dienamide (CID 12773177) is N-methyl-N-phenylbuta-2,3-dienamide.
What is the SMILES notation for N-methyl-N-phenylbuta-2,3-dienamide?
The canonical SMILES for N-methyl-N-phenylbuta-2,3-dienamide is C=C=CC(=O)N(C)c1ccccc1.
What is the InChIKey of N-methyl-N-phenylbuta-2,3-dienamide?
The InChIKey is ITHMKGONFSUPDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO/c1-3-7-11(13)12(2)10-8-5-4-6-9-10/h4-9H,1H2,2H3.
What are the key properties of N-methyl-N-phenylbuta-2,3-dienamide?
N-methyl-N-phenylbuta-2,3-dienamide has a molecular weight of 173.21 g/mol, XLogP of 1.99, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-phenylbuta-2,3-dienamide is sourced from PubChem (CID 12773177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).