sodium;benzene;hydride;N-methylprop-2-enamide

C10H14NNaO — CID 173390942

IUPACsodium;benzene;hydride;N-methylprop-2-enamide
SMILESC=CC(=O)NC.[H-].[Na+].c1ccccc1
InChIInChI=1S/C6H6.C4H7NO.Na.H/c1-2-4-6-5-3-1;1-3-4(6)5-2;;/h1-6H;3H,1H2,2H3,(H,5,6);;/q;;+1;-1
InChIKeyAFTPJNKTHXVMCJ-UHFFFAOYSA-N
MW187.22 g/mol
LogP-1.28
Rot. Bonds1

About sodium;benzene;hydride;N-methylprop-2-enamide

sodium;benzene;hydride;N-methylprop-2-enamide (PubChem CID 173390942) has the molecular formula C10H14NNaO and a molecular weight of 187.22 g/mol. Its IUPAC name is sodium;benzene;hydride;N-methylprop-2-enamide.

Molecular Properties

Compound Namesodium;benzene;hydride;N-methylprop-2-enamide
PubChem CID173390942
Molecular FormulaC10H14NNaO
Molecular Weight187.22 g/mol
Exact Mass187.10
IUPAC Namesodium;benzene;hydride;N-methylprop-2-enamide
SMILESC=CC(=O)NC.[H-].[Na+].c1ccccc1
InChIInChI=1S/C6H6.C4H7NO.Na.H/c1-2-4-6-5-3-1;1-3-4(6)5-2;;/h1-6H;3H,1H2,2H3,(H,5,6);;/q;;+1;-1
InChIKeyAFTPJNKTHXVMCJ-UHFFFAOYSA-N
XLogP-1.28
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.22
LogP ≤ 5-1.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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
2-hydroxyacetic acid;N-methylprop-2-enamide
CID 87472265
methylphosphonic acid;N-methylprop-2-enamide
CID 160712581
but-1-ene;N-methylprop-2-enamide
CID 159446883
acetic acid;guanidine;N-methylprop-2-enamide
CID 174639401
N,N-dimethylacetamide;N-methylprop-2-enamide
CID 174991436
N-methylprop-2-enamide;prop-2-en-1-amine;hydrochloride
CID 174712757
diethylalumanylium;N-methylprop-2-enamide;chloride
CID 175303125
N,N-dimethylethanamine;N-methylprop-2-enamide;hydrochloride
CID 174733111
but-1-ene;N-methylprop-2-enamide;urea
CID 174740802
azane;N-methylprop-2-enamide;2-propylpropanedioic acid
CID 172771679
N-(deuteriomethyl)prop-2-enamide
CID 140611365

Frequently Asked Questions

What is the IUPAC name of sodium;benzene;hydride;N-methylprop-2-enamide?
The IUPAC name of sodium;benzene;hydride;N-methylprop-2-enamide (CID 173390942) is sodium;benzene;hydride;N-methylprop-2-enamide.
What is the SMILES notation for sodium;benzene;hydride;N-methylprop-2-enamide?
The canonical SMILES for sodium;benzene;hydride;N-methylprop-2-enamide is C=CC(=O)NC.[H-].[Na+].c1ccccc1.
What is the InChIKey of sodium;benzene;hydride;N-methylprop-2-enamide?
The InChIKey is AFTPJNKTHXVMCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6.C4H7NO.Na.H/c1-2-4-6-5-3-1;1-3-4(6)5-2;;/h1-6H;3H,1H2,2H3,(H,5,6);;/q;;+1;-1.
What are the key properties of sodium;benzene;hydride;N-methylprop-2-enamide?
sodium;benzene;hydride;N-methylprop-2-enamide has a molecular weight of 187.22 g/mol, XLogP of -1.28, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;benzene;hydride;N-methylprop-2-enamide is sourced from PubChem (CID 173390942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).