N,N-diethylprop-2-enamide;prop-2-enal

C10H17NO2 — CID 23511066

IUPACN,N-diethylprop-2-enamide;prop-2-enal
SMILESC=CC(=O)N(CC)CC.C=CC=O
InChIInChI=1S/C7H13NO.C3H4O/c1-4-7(9)8(5-2)6-3;1-2-3-4/h4H,1,5-6H2,2-3H3;2-3H,1H2
InChIKeyNWCDPLUXTDVLAS-UHFFFAOYSA-N
MW183.25 g/mol
LogP1.41
Rot. Bonds4

About N,N-diethylprop-2-enamide;prop-2-enal

N,N-diethylprop-2-enamide;prop-2-enal (PubChem CID 23511066) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is N,N-diethylprop-2-enamide;prop-2-enal.

Molecular Properties

Compound NameN,N-diethylprop-2-enamide;prop-2-enal
PubChem CID23511066
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC NameN,N-diethylprop-2-enamide;prop-2-enal
SMILESC=CC(=O)N(CC)CC.C=CC=O
InChIInChI=1S/C7H13NO.C3H4O/c1-4-7(9)8(5-2)6-3;1-2-3-4/h4H,1,5-6H2,2-3H3;2-3H,1H2
InChIKeyNWCDPLUXTDVLAS-UHFFFAOYSA-N
XLogP1.41
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N,N-diethylprop-2-enamide;prop-2-enal with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N,N-diethylprop-2-enamide;prop-2-enal?
The IUPAC name of N,N-diethylprop-2-enamide;prop-2-enal (CID 23511066) is N,N-diethylprop-2-enamide;prop-2-enal.
What is the SMILES notation for N,N-diethylprop-2-enamide;prop-2-enal?
The canonical SMILES for N,N-diethylprop-2-enamide;prop-2-enal is C=CC(=O)N(CC)CC.C=CC=O.
What is the InChIKey of N,N-diethylprop-2-enamide;prop-2-enal?
The InChIKey is NWCDPLUXTDVLAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO.C3H4O/c1-4-7(9)8(5-2)6-3;1-2-3-4/h4H,1,5-6H2,2-3H3;2-3H,1H2.
What are the key properties of N,N-diethylprop-2-enamide;prop-2-enal?
N,N-diethylprop-2-enamide;prop-2-enal has a molecular weight of 183.25 g/mol, XLogP of 1.41, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethylprop-2-enamide;prop-2-enal is sourced from PubChem (CID 23511066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).