sodium;carbonic acid;pyrrolidin-2-one

C5H9NNaO4+ — CID 19352761

IUPACsodium;carbonic acid;pyrrolidin-2-one
SMILESO=C(O)O.O=C1CCCN1.[Na+]
InChIInChI=1S/C4H7NO.CH2O3.Na/c6-4-2-1-3-5-4;2-1(3)4;/h1-3H2,(H,5,6);(H2,2,3,4);/q;;+1
InChIKeyLBBSMVQTEJZBTE-UHFFFAOYSA-N
MW170.12 g/mol
LogP-2.88
Rot. Bonds

About sodium;carbonic acid;pyrrolidin-2-one

sodium;carbonic acid;pyrrolidin-2-one (PubChem CID 19352761) has the molecular formula C5H9NNaO4+ and a molecular weight of 170.12 g/mol. Its IUPAC name is sodium;carbonic acid;pyrrolidin-2-one.

Molecular Properties

Compound Namesodium;carbonic acid;pyrrolidin-2-one
PubChem CID19352761
Molecular FormulaC5H9NNaO4+
Molecular Weight170.12 g/mol
Exact Mass170.04
IUPAC Namesodium;carbonic acid;pyrrolidin-2-one
SMILESO=C(O)O.O=C1CCCN1.[Na+]
InChIInChI=1S/C4H7NO.CH2O3.Na/c6-4-2-1-3-5-4;2-1(3)4;/h1-3H2,(H,5,6);(H2,2,3,4);/q;;+1
InChIKeyLBBSMVQTEJZBTE-UHFFFAOYSA-N
XLogP-2.88
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.12
LogP ≤ 5-2.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of sodium;carbonic acid;pyrrolidin-2-one?
The IUPAC name of sodium;carbonic acid;pyrrolidin-2-one (CID 19352761) is sodium;carbonic acid;pyrrolidin-2-one.
What is the SMILES notation for sodium;carbonic acid;pyrrolidin-2-one?
The canonical SMILES for sodium;carbonic acid;pyrrolidin-2-one is O=C(O)O.O=C1CCCN1.[Na+].
What is the InChIKey of sodium;carbonic acid;pyrrolidin-2-one?
The InChIKey is LBBSMVQTEJZBTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7NO.CH2O3.Na/c6-4-2-1-3-5-4;2-1(3)4;/h1-3H2,(H,5,6);(H2,2,3,4);/q;;+1.
What are the key properties of sodium;carbonic acid;pyrrolidin-2-one?
sodium;carbonic acid;pyrrolidin-2-one has a molecular weight of 170.12 g/mol, XLogP of -2.88, 0 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;carbonic acid;pyrrolidin-2-one is sourced from PubChem (CID 19352761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).