N,N-dimethyl(113C)but-3-enamide

C6H11NO — CID 173211500

IUPACN,N-dimethyl(113C)but-3-enamide
SMILESC=CC[13C](=O)N(C)C
InChIInChI=1S/C6H11NO/c1-4-5-6(8)7(2)3/h4H,1,5H2,2-3H3/i6+1
InChIKeyCJVMAMILAMIPCO-PTQBSOBMSA-N
MW114.15 g/mol
LogP0.65
Rot. Bonds2

About N,N-dimethyl(113C)but-3-enamide

N,N-dimethyl(113C)but-3-enamide (PubChem CID 173211500) has the molecular formula C6H11NO and a molecular weight of 114.15 g/mol. Its IUPAC name is N,N-dimethyl(113C)but-3-enamide.

Molecular Properties

Compound NameN,N-dimethyl(113C)but-3-enamide
PubChem CID173211500
Molecular FormulaC6H11NO
Molecular Weight114.15 g/mol
Exact Mass114.09
IUPAC NameN,N-dimethyl(113C)but-3-enamide
SMILESC=CC[13C](=O)N(C)C
InChIInChI=1S/C6H11NO/c1-4-5-6(8)7(2)3/h4H,1,5H2,2-3H3/i6+1
InChIKeyCJVMAMILAMIPCO-PTQBSOBMSA-N
XLogP0.65
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.15
LogP ≤ 50.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl(113C)but-3-enamide?
The IUPAC name of N,N-dimethyl(113C)but-3-enamide (CID 173211500) is N,N-dimethyl(113C)but-3-enamide.
What is the SMILES notation for N,N-dimethyl(113C)but-3-enamide?
The canonical SMILES for N,N-dimethyl(113C)but-3-enamide is C=CC[13C](=O)N(C)C.
What is the InChIKey of N,N-dimethyl(113C)but-3-enamide?
The InChIKey is CJVMAMILAMIPCO-PTQBSOBMSA-N. The full InChI is InChI=1S/C6H11NO/c1-4-5-6(8)7(2)3/h4H,1,5H2,2-3H3/i6+1.
What are the key properties of N,N-dimethyl(113C)but-3-enamide?
N,N-dimethyl(113C)but-3-enamide has a molecular weight of 114.15 g/mol, XLogP of 0.65, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl(113C)but-3-enamide is sourced from PubChem (CID 173211500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).