potassium (1Z)-2-methoxy-1-(2-oxo-1-phenylmethoxycarbonylpyrrolidin-3-ylidene)ethanolate

C15H16KNO5 — CID 146168299

IUPACpotassium (1Z)-2-methoxy-1-(2-oxo-1-phenylmethoxycarbonylpyrrolidin-3-ylidene)ethanolate
SMILESCOC/C([O-])=C1\CCN(C(=O)OCc2ccccc2)C1=O.[K+]
InChIInChI=1S/C15H17NO5.K/c1-20-10-13(17)12-7-8-16(14(12)18)15(19)21-9-11-5-3-2-4-6-11;/h2-6,17H,7-10H2,1H3;/q;+1/p-1/b13-12-;
InChIKeyXGSBEGVDPSHHRM-USGGBSEESA-M
MW329.39 g/mol
LogP-2.18
Rot. Bonds4

About potassium (1Z)-2-methoxy-1-(2-oxo-1-phenylmethoxycarbonylpyrrolidin-3-ylidene)ethanolate

potassium (1Z)-2-methoxy-1-(2-oxo-1-phenylmethoxycarbonylpyrrolidin-3-ylidene)ethanolate (PubChem CID 146168299) has the molecular formula C15H16KNO5 and a molecular weight of 329.39 g/mol. Its IUPAC name is potassium (1Z)-2-methoxy-1-(2-oxo-1-phenylmethoxycarbonylpyrrolidin-3-ylidene)ethanolate.

Molecular Properties

Compound Namepotassium (1Z)-2-methoxy-1-(2-oxo-1-phenylmethoxycarbonylpyrrolidin-3-ylidene)ethanolate
PubChem CID146168299
Molecular FormulaC15H16KNO5
Molecular Weight329.39 g/mol
Exact Mass329.07
IUPAC Namepotassium (1Z)-2-methoxy-1-(2-oxo-1-phenylmethoxycarbonylpyrrolidin-3-ylidene)ethanolate
SMILESCOC/C([O-])=C1\CCN(C(=O)OCc2ccccc2)C1=O.[K+]
InChIInChI=1S/C15H17NO5.K/c1-20-10-13(17)12-7-8-16(14(12)18)15(19)21-9-11-5-3-2-4-6-11;/h2-6,17H,7-10H2,1H3;/q;+1/p-1/b13-12-;
InChIKeyXGSBEGVDPSHHRM-USGGBSEESA-M
XLogP-2.18
TPSA78.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.39
LogP ≤ 5-2.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

Benzyl 2-oxopyrrolidine-1-carboxylate
CID 10932936
Benzyl 3-formylpyrrolidine-1-carboxylate
CID 4620242
3-Benzyl 1-tert-butyl pyrrolidine-1,3-dicarboxylate
CID 12162212
Benzyl 3-methylene-4-vinyl-1-pyrrolidinecarboxylate
CID 14120784
Benzyl 2,5-dioxopyrrolidine-1-carboxylate
CID 3826287
2-Methoxy-pyrrolidine-1-carboxylic acid benzyl ester
CID 10922485
Benzyl 2-methyl-5-oxopyrrolidine-1-carboxylate
CID 20603991
(R)-Benzyl 3-allyl-3-methyl-2-oxopyrrolidine-1-carboxylate
CID 53495121
Phenylmethyl 3-methyl-1-pyrrolidinecarboxylate
CID 54438442
1-Phenylethyl pyrrolidine-1-carboxylate
CID 69534811
1-Benzyl 3-ethyl 4-ethyl-2,5-dihydro-1H-pyrrole-1,3-dicarboxylate
CID 129030992
Benzyl 4-acetyloxy-2-oxopyrrolidine-1-carboxylate
CID 175234841

Frequently Asked Questions

What is the IUPAC name of potassium (1Z)-2-methoxy-1-(2-oxo-1-phenylmethoxycarbonylpyrrolidin-3-ylidene)ethanolate?
The IUPAC name of potassium (1Z)-2-methoxy-1-(2-oxo-1-phenylmethoxycarbonylpyrrolidin-3-ylidene)ethanolate (CID 146168299) is potassium (1Z)-2-methoxy-1-(2-oxo-1-phenylmethoxycarbonylpyrrolidin-3-ylidene)ethanolate.
What is the SMILES notation for potassium (1Z)-2-methoxy-1-(2-oxo-1-phenylmethoxycarbonylpyrrolidin-3-ylidene)ethanolate?
The canonical SMILES for potassium (1Z)-2-methoxy-1-(2-oxo-1-phenylmethoxycarbonylpyrrolidin-3-ylidene)ethanolate is COC/C([O-])=C1\CCN(C(=O)OCc2ccccc2)C1=O.[K+].
What is the InChIKey of potassium (1Z)-2-methoxy-1-(2-oxo-1-phenylmethoxycarbonylpyrrolidin-3-ylidene)ethanolate?
The InChIKey is XGSBEGVDPSHHRM-USGGBSEESA-M. The full InChI is InChI=1S/C15H17NO5.K/c1-20-10-13(17)12-7-8-16(14(12)18)15(19)21-9-11-5-3-2-4-6-11;/h2-6,17H,7-10H2,1H3;/q;+1/p-1/b13-12-;.
What are the key properties of potassium (1Z)-2-methoxy-1-(2-oxo-1-phenylmethoxycarbonylpyrrolidin-3-ylidene)ethanolate?
potassium (1Z)-2-methoxy-1-(2-oxo-1-phenylmethoxycarbonylpyrrolidin-3-ylidene)ethanolate has a molecular weight of 329.39 g/mol, XLogP of -2.18, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for potassium (1Z)-2-methoxy-1-(2-oxo-1-phenylmethoxycarbonylpyrrolidin-3-ylidene)ethanolate is sourced from PubChem (CID 146168299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).