N-butyl-N-methylprop-2-enamide

C8H15NO — CID 14669957

IUPACN-butyl-N-methylprop-2-enamide
SMILESC=CC(=O)N(C)CCCC
InChIInChI=1S/C8H15NO/c1-4-6-7-9(3)8(10)5-2/h5H,2,4,6-7H2,1,3H3
InChIKeyOWVWGCVNBQLTDH-UHFFFAOYSA-N
MW141.21 g/mol
LogP1.43
Rot. Bonds4

About N-butyl-N-methylprop-2-enamide

N-butyl-N-methylprop-2-enamide (PubChem CID 14669957) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is N-butyl-N-methylprop-2-enamide.

Molecular Properties

Compound NameN-butyl-N-methylprop-2-enamide
PubChem CID14669957
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC NameN-butyl-N-methylprop-2-enamide
SMILESC=CC(=O)N(C)CCCC
InChIInChI=1S/C8H15NO/c1-4-6-7-9(3)8(10)5-2/h5H,2,4,6-7H2,1,3H3
InChIKeyOWVWGCVNBQLTDH-UHFFFAOYSA-N
XLogP1.43
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 51.43
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-butyl-N-methylprop-2-enamide?
The IUPAC name of N-butyl-N-methylprop-2-enamide (CID 14669957) is N-butyl-N-methylprop-2-enamide.
What is the SMILES notation for N-butyl-N-methylprop-2-enamide?
The canonical SMILES for N-butyl-N-methylprop-2-enamide is C=CC(=O)N(C)CCCC.
What is the InChIKey of N-butyl-N-methylprop-2-enamide?
The InChIKey is OWVWGCVNBQLTDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO/c1-4-6-7-9(3)8(10)5-2/h5H,2,4,6-7H2,1,3H3.
What are the key properties of N-butyl-N-methylprop-2-enamide?
N-butyl-N-methylprop-2-enamide has a molecular weight of 141.21 g/mol, XLogP of 1.43, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-methylprop-2-enamide is sourced from PubChem (CID 14669957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).