sodium;1-ethenylpyrrolidin-2-one;prop-2-enoate

C9H12NNaO3 — CID 23670953

IUPACsodium;1-ethenylpyrrolidin-2-one;prop-2-enoate
SMILESC=CC(=O)[O-].C=CN1CCCC1=O.[Na+]
InChIInChI=1S/C6H9NO.C3H4O2.Na/c1-2-7-5-3-4-6(7)8;1-2-3(4)5;/h2H,1,3-5H2;2H,1H2,(H,4,5);/q;;+1/p-1
InChIKeyBOJMKWXVJMHNOJ-UHFFFAOYSA-M
MW205.19 g/mol
LogP-3.32
Rot. Bonds2

About sodium;1-ethenylpyrrolidin-2-one;prop-2-enoate

sodium;1-ethenylpyrrolidin-2-one;prop-2-enoate (PubChem CID 23670953) has the molecular formula C9H12NNaO3 and a molecular weight of 205.19 g/mol. Its IUPAC name is sodium;1-ethenylpyrrolidin-2-one;prop-2-enoate.

Molecular Properties

Compound Namesodium;1-ethenylpyrrolidin-2-one;prop-2-enoate
PubChem CID23670953
Molecular FormulaC9H12NNaO3
Molecular Weight205.19 g/mol
Exact Mass205.07
IUPAC Namesodium;1-ethenylpyrrolidin-2-one;prop-2-enoate
SMILESC=CC(=O)[O-].C=CN1CCCC1=O.[Na+]
InChIInChI=1S/C6H9NO.C3H4O2.Na/c1-2-7-5-3-4-6(7)8;1-2-3(4)5;/h2H,1,3-5H2;2H,1H2,(H,4,5);/q;;+1/p-1
InChIKeyBOJMKWXVJMHNOJ-UHFFFAOYSA-M
XLogP-3.32
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.19
LogP ≤ 5-3.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl (2E)-3-(2-oxopyrrolidin-1-yl)prop-2-enoate
CID 5385876
Acrylic acid vinylpyrrolidone
CID 197163
2-Propenoic acid, 3-(2-oxo-1-pyrrolidinyl)-, methyl ester, (2E)-
CID 351259
1-Ethenylpyrrolidin-2-one;methyl prop-2-enoate
CID 21524937
Pyrrolidone-acrylic acid
CID 67584127
(Z)-but-2-enedioic acid;1-ethenylpyrrolidin-2-one
CID 69751421
(E)-but-2-enedioic acid;1-ethenylpyrrolidin-2-one
CID 6509670
But-2-enedioic acid;1-ethenylpyrrolidin-2-one
CID 293812
(E)-3-(2-oxopyrrolidin-1-yl)prop-2-enoic acid
CID 19614031
Ethenyl prop-2-enoate;1-ethenylpyrrolidin-2-one
CID 21954209
3-(1-Ethenyl-2-oxopyrrolidin-1-ium-1-yl)prop-2-enoic acid
CID 54028479
Ethenyl 3-(2-oxopyrrolidin-1-yl)prop-2-enoate
CID 66933066

Frequently Asked Questions

What is the IUPAC name of sodium;1-ethenylpyrrolidin-2-one;prop-2-enoate?
The IUPAC name of sodium;1-ethenylpyrrolidin-2-one;prop-2-enoate (CID 23670953) is sodium;1-ethenylpyrrolidin-2-one;prop-2-enoate.
What is the SMILES notation for sodium;1-ethenylpyrrolidin-2-one;prop-2-enoate?
The canonical SMILES for sodium;1-ethenylpyrrolidin-2-one;prop-2-enoate is C=CC(=O)[O-].C=CN1CCCC1=O.[Na+].
What is the InChIKey of sodium;1-ethenylpyrrolidin-2-one;prop-2-enoate?
The InChIKey is BOJMKWXVJMHNOJ-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H9NO.C3H4O2.Na/c1-2-7-5-3-4-6(7)8;1-2-3(4)5;/h2H,1,3-5H2;2H,1H2,(H,4,5);/q;;+1/p-1.
What are the key properties of sodium;1-ethenylpyrrolidin-2-one;prop-2-enoate?
sodium;1-ethenylpyrrolidin-2-one;prop-2-enoate has a molecular weight of 205.19 g/mol, XLogP of -3.32, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;1-ethenylpyrrolidin-2-one;prop-2-enoate is sourced from PubChem (CID 23670953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).