N,N-diethylprop-2-enamide

C7H13NO — CID 17583

IUPACN,N-diethylprop-2-enamide
SMILESC=CC(=O)N(CC)CC
InChIInChI=1S/C7H13NO/c1-4-7(9)8(5-2)6-3/h4H,1,5-6H2,2-3H3
InChIKeyOVHHHVAVHBHXAK-UHFFFAOYSA-N
MW127.19 g/mol
LogP1.04
Rot. Bonds3

About N,N-diethylprop-2-enamide

N,N-diethylprop-2-enamide (PubChem CID 17583) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is N,N-diethylprop-2-enamide.

Molecular Properties

Compound NameN,N-diethylprop-2-enamide
PubChem CID17583
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC NameN,N-diethylprop-2-enamide
SMILESC=CC(=O)N(CC)CC
InChIInChI=1S/C7H13NO/c1-4-7(9)8(5-2)6-3/h4H,1,5-6H2,2-3H3
InChIKeyOVHHHVAVHBHXAK-UHFFFAOYSA-N
XLogP1.04
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 51.04
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,N-diethylprop-2-enamide?
The IUPAC name of N,N-diethylprop-2-enamide (CID 17583) is N,N-diethylprop-2-enamide.
What is the SMILES notation for N,N-diethylprop-2-enamide?
The canonical SMILES for N,N-diethylprop-2-enamide is C=CC(=O)N(CC)CC.
What is the InChIKey of N,N-diethylprop-2-enamide?
The InChIKey is OVHHHVAVHBHXAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO/c1-4-7(9)8(5-2)6-3/h4H,1,5-6H2,2-3H3.
What are the key properties of N,N-diethylprop-2-enamide?
N,N-diethylprop-2-enamide has a molecular weight of 127.19 g/mol, XLogP of 1.04, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethylprop-2-enamide is sourced from PubChem (CID 17583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).