N-methyl-N-prop-2-enoylprop-2-enamide

C7H9NO2 — CID 11040775

IUPACN-methyl-N-prop-2-enoylprop-2-enamide
SMILESC=CC(=O)N(C)C(=O)C=C
InChIInChI=1S/C7H9NO2/c1-4-6(9)8(3)7(10)5-2/h4-5H,1-2H2,3H3
InChIKeyCEHHGEQOHMSYEE-UHFFFAOYSA-N
MW139.15 g/mol
LogP0.34
Rot. Bonds2

About N-methyl-N-prop-2-enoylprop-2-enamide

N-methyl-N-prop-2-enoylprop-2-enamide (PubChem CID 11040775) has the molecular formula C7H9NO2 and a molecular weight of 139.15 g/mol. Its IUPAC name is N-methyl-N-prop-2-enoylprop-2-enamide.

Molecular Properties

Compound NameN-methyl-N-prop-2-enoylprop-2-enamide
PubChem CID11040775
Molecular FormulaC7H9NO2
Molecular Weight139.15 g/mol
Exact Mass139.06
IUPAC NameN-methyl-N-prop-2-enoylprop-2-enamide
SMILESC=CC(=O)N(C)C(=O)C=C
InChIInChI=1S/C7H9NO2/c1-4-6(9)8(3)7(10)5-2/h4-5H,1-2H2,3H3
InChIKeyCEHHGEQOHMSYEE-UHFFFAOYSA-N
XLogP0.34
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.15
LogP ≤ 50.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-Ethylmaleimide
CID 4362
N,N-Dimethylacrylamide
CID 17587
N-Methylmaleimide
CID 70261
N,N-Diethylacrylamide
CID 17583
N-Isopropylmaleimide
CID 14088
1-Propyl-1H-pyrrole-2,5-dione
CID 89033
N-Ethyl-d5-maleimide
CID 71309877
N,N,N-Trimethylprop-2-enamidium chloride
CID 6455684
n,n-Dipropylprop-2-enamide
CID 266287
N-ethyl-N-methylprop-2-enamide
CID 10441673
n-Allyl-n-methylacrylamide
CID 12294821
N-Methyl-N-propyl-2-propenamide
CID 14204073

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-prop-2-enoylprop-2-enamide?
The IUPAC name of N-methyl-N-prop-2-enoylprop-2-enamide (CID 11040775) is N-methyl-N-prop-2-enoylprop-2-enamide.
What is the SMILES notation for N-methyl-N-prop-2-enoylprop-2-enamide?
The canonical SMILES for N-methyl-N-prop-2-enoylprop-2-enamide is C=CC(=O)N(C)C(=O)C=C.
What is the InChIKey of N-methyl-N-prop-2-enoylprop-2-enamide?
The InChIKey is CEHHGEQOHMSYEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO2/c1-4-6(9)8(3)7(10)5-2/h4-5H,1-2H2,3H3.
What are the key properties of N-methyl-N-prop-2-enoylprop-2-enamide?
N-methyl-N-prop-2-enoylprop-2-enamide has a molecular weight of 139.15 g/mol, XLogP of 0.34, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-prop-2-enoylprop-2-enamide is sourced from PubChem (CID 11040775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).