sodium N-propan-2-ylprop-2-enamide

C6H11NNaO+ — CID 19004870

IUPACsodium N-propan-2-ylprop-2-enamide
SMILESC=CC(=O)NC(C)C.[Na+]
InChIInChI=1S/C6H11NO.Na/c1-4-6(8)7-5(2)3;/h4-5H,1H2,2-3H3,(H,7,8);/q;+1
InChIKeyOLJZTMIZFRYCMQ-UHFFFAOYSA-N
MW136.15 g/mol
LogP-2.30
Rot. Bonds2

About sodium N-propan-2-ylprop-2-enamide

sodium N-propan-2-ylprop-2-enamide (PubChem CID 19004870) has the molecular formula C6H11NNaO+ and a molecular weight of 136.15 g/mol. Its IUPAC name is sodium N-propan-2-ylprop-2-enamide.

Molecular Properties

Compound Namesodium N-propan-2-ylprop-2-enamide
PubChem CID19004870
Molecular FormulaC6H11NNaO+
Molecular Weight136.15 g/mol
Exact Mass136.07
IUPAC Namesodium N-propan-2-ylprop-2-enamide
SMILESC=CC(=O)NC(C)C.[Na+]
InChIInChI=1S/C6H11NO.Na/c1-4-6(8)7-5(2)3;/h4-5H,1H2,2-3H3,(H,7,8);/q;+1
InChIKeyOLJZTMIZFRYCMQ-UHFFFAOYSA-N
XLogP-2.30
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.15
LogP ≤ 5-2.30
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

sodium;hydride;N-propan-2-ylprop-2-enamide
CID 173347226
N-[(1S)-1-hydroxyethyl]prop-2-enamide
CID 59985905
N-(ethoxymethyl)prop-2-enamide;N-propan-2-ylprop-2-enamide
CID 87880276
N-[(2S)-1,2-dihydroxy-2-(prop-2-enoylamino)ethyl]prop-2-enamide
CID 129044406
N-propan-2-ylprop-2-enamide;trimethyl-[3-(prop-2-enoylamino)propyl]azanium;chloride
CID 175371989
3-methyl-2-(prop-2-enoylamino)butanoic acid
CID 3320462
methyl-[1-(prop-2-enoylamino)ethyl]azanium chloride
CID 154611699
N-(3-hydroxy-3-methylbutan-2-yl)prop-2-enamide
CID 130862795
N-(2,2,4-trimethylpentan-3-yl)prop-2-enamide
CID 23505015
1-(prop-2-enoylamino)ethanesulfonic acid
CID 18361641
2-ethenyl-1H-imidazole;N-propan-2-ylprop-2-enamide
CID 158112506
phenyl prop-2-enoate;N-propan-2-ylprop-2-enamide;prop-2-enoic acid
CID 175166884

Frequently Asked Questions

What is the IUPAC name of sodium N-propan-2-ylprop-2-enamide?
The IUPAC name of sodium N-propan-2-ylprop-2-enamide (CID 19004870) is sodium N-propan-2-ylprop-2-enamide.
What is the SMILES notation for sodium N-propan-2-ylprop-2-enamide?
The canonical SMILES for sodium N-propan-2-ylprop-2-enamide is C=CC(=O)NC(C)C.[Na+].
What is the InChIKey of sodium N-propan-2-ylprop-2-enamide?
The InChIKey is OLJZTMIZFRYCMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO.Na/c1-4-6(8)7-5(2)3;/h4-5H,1H2,2-3H3,(H,7,8);/q;+1.
What are the key properties of sodium N-propan-2-ylprop-2-enamide?
sodium N-propan-2-ylprop-2-enamide has a molecular weight of 136.15 g/mol, XLogP of -2.30, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for sodium N-propan-2-ylprop-2-enamide is sourced from PubChem (CID 19004870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).