N,N-diethyl-2-methylidenebut-3-enamide

C9H15NO — CID 543059

IUPACN,N-diethyl-2-methylidenebut-3-enamide
SMILESC=CC(=C)C(=O)N(CC)CC
InChIInChI=1S/C9H15NO/c1-5-8(4)9(11)10(6-2)7-3/h5H,1,4,6-7H2,2-3H3
InChIKeyGSDVAWBCNLKQDS-UHFFFAOYSA-N
MW153.22 g/mol
LogP1.60
Rot. Bonds4

About N,N-diethyl-2-methylidenebut-3-enamide

N,N-diethyl-2-methylidenebut-3-enamide (PubChem CID 543059) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is N,N-diethyl-2-methylidenebut-3-enamide.

Molecular Properties

Compound NameN,N-diethyl-2-methylidenebut-3-enamide
PubChem CID543059
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC NameN,N-diethyl-2-methylidenebut-3-enamide
SMILESC=CC(=C)C(=O)N(CC)CC
InChIInChI=1S/C9H15NO/c1-5-8(4)9(11)10(6-2)7-3/h5H,1,4,6-7H2,2-3H3
InChIKeyGSDVAWBCNLKQDS-UHFFFAOYSA-N
XLogP1.60
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-methylidenebut-3-enamide?
The IUPAC name of N,N-diethyl-2-methylidenebut-3-enamide (CID 543059) is N,N-diethyl-2-methylidenebut-3-enamide.
What is the SMILES notation for N,N-diethyl-2-methylidenebut-3-enamide?
The canonical SMILES for N,N-diethyl-2-methylidenebut-3-enamide is C=CC(=C)C(=O)N(CC)CC.
What is the InChIKey of N,N-diethyl-2-methylidenebut-3-enamide?
The InChIKey is GSDVAWBCNLKQDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO/c1-5-8(4)9(11)10(6-2)7-3/h5H,1,4,6-7H2,2-3H3.
What are the key properties of N,N-diethyl-2-methylidenebut-3-enamide?
N,N-diethyl-2-methylidenebut-3-enamide has a molecular weight of 153.22 g/mol, XLogP of 1.60, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-methylidenebut-3-enamide is sourced from PubChem (CID 543059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).