N,N-dimethylacetamide;N-methylprop-2-enamide

C8H16N2O2 — CID 174991436

IUPACN,N-dimethylacetamide;N-methylprop-2-enamide
SMILESC=CC(=O)NC.CC(=O)N(C)C
InChIInChI=1S/C4H9NO.C4H7NO/c1-4(6)5(2)3;1-3-4(6)5-2/h1-3H3;3H,1H2,2H3,(H,5,6)
InChIKeyXHLFFNUBTWRBSD-UHFFFAOYSA-N
MW172.23 g/mol
LogP0.01
Rot. Bonds1

About N,N-dimethylacetamide;N-methylprop-2-enamide

N,N-dimethylacetamide;N-methylprop-2-enamide (PubChem CID 174991436) has the molecular formula C8H16N2O2 and a molecular weight of 172.23 g/mol. Its IUPAC name is N,N-dimethylacetamide;N-methylprop-2-enamide.

Molecular Properties

Compound NameN,N-dimethylacetamide;N-methylprop-2-enamide
PubChem CID174991436
Molecular FormulaC8H16N2O2
Molecular Weight172.23 g/mol
Exact Mass172.12
IUPAC NameN,N-dimethylacetamide;N-methylprop-2-enamide
SMILESC=CC(=O)NC.CC(=O)N(C)C
InChIInChI=1S/C4H9NO.C4H7NO/c1-4(6)5(2)3;1-3-4(6)5-2/h1-3H3;3H,1H2,2H3,(H,5,6)
InChIKeyXHLFFNUBTWRBSD-UHFFFAOYSA-N
XLogP0.01
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 50.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

methanol;bis(N-methylprop-2-enamide)
CID 175170531
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CID 160712581
sodium;benzene;hydride;N-methylprop-2-enamide
CID 173390942
but-1-ene;N-methylprop-2-enamide
CID 159446883
acetic acid;guanidine;N-methylprop-2-enamide
CID 174639401
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CID 87472265
N-ethylprop-2-enamide;N-methylprop-2-enamide;2-methylprop-1-ene
CID 91512805
N-methylprop-2-enamide;prop-2-en-1-amine;hydrochloride
CID 174712757
N,N-dimethylacetamide;formaldehyde
CID 54040691
diethylalumanylium;N-methylprop-2-enamide;chloride
CID 175303125
but-1-ene;N-methylprop-2-enamide;urea
CID 174740802

Frequently Asked Questions

What is the IUPAC name of N,N-dimethylacetamide;N-methylprop-2-enamide?
The IUPAC name of N,N-dimethylacetamide;N-methylprop-2-enamide (CID 174991436) is N,N-dimethylacetamide;N-methylprop-2-enamide.
What is the SMILES notation for N,N-dimethylacetamide;N-methylprop-2-enamide?
The canonical SMILES for N,N-dimethylacetamide;N-methylprop-2-enamide is C=CC(=O)NC.CC(=O)N(C)C.
What is the InChIKey of N,N-dimethylacetamide;N-methylprop-2-enamide?
The InChIKey is XHLFFNUBTWRBSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NO.C4H7NO/c1-4(6)5(2)3;1-3-4(6)5-2/h1-3H3;3H,1H2,2H3,(H,5,6).
What are the key properties of N,N-dimethylacetamide;N-methylprop-2-enamide?
N,N-dimethylacetamide;N-methylprop-2-enamide has a molecular weight of 172.23 g/mol, XLogP of 0.01, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethylacetamide;N-methylprop-2-enamide is sourced from PubChem (CID 174991436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).