potassium 5-(1-methylpyrrole-2-carbonyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylate

C14H13KN2O3 — CID 86735808

IUPACpotassium 5-(1-methylpyrrole-2-carbonyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylate
SMILESCn1cccc1C(=O)c1ccc2n1CCC2C(=O)[O-].[K+]
InChIInChI=1S/C14H14N2O3.K/c1-15-7-2-3-11(15)13(17)12-5-4-10-9(14(18)19)6-8-16(10)12;/h2-5,7,9H,6,8H2,1H3,(H,18,19);/q;+1/p-1
InChIKeyMOVMVQUDAAYLKA-UHFFFAOYSA-M
MW296.37 g/mol
LogP-2.70
Rot. Bonds3

About potassium 5-(1-methylpyrrole-2-carbonyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylate

potassium 5-(1-methylpyrrole-2-carbonyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylate (PubChem CID 86735808) has the molecular formula C14H13KN2O3 and a molecular weight of 296.37 g/mol. Its IUPAC name is potassium 5-(1-methylpyrrole-2-carbonyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylate.

Molecular Properties

Compound Namepotassium 5-(1-methylpyrrole-2-carbonyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylate
PubChem CID86735808
Molecular FormulaC14H13KN2O3
Molecular Weight296.37 g/mol
Exact Mass296.06
IUPAC Namepotassium 5-(1-methylpyrrole-2-carbonyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylate
SMILESCn1cccc1C(=O)c1ccc2n1CCC2C(=O)[O-].[K+]
InChIInChI=1S/C14H14N2O3.K/c1-15-7-2-3-11(15)13(17)12-5-4-10-9(14(18)19)6-8-16(10)12;/h2-5,7,9H,6,8H2,1H3,(H,18,19);/q;+1/p-1
InChIKeyMOVMVQUDAAYLKA-UHFFFAOYSA-M
XLogP-2.70
TPSA67.06 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 5-2.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of potassium 5-(1-methylpyrrole-2-carbonyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylate?
The IUPAC name of potassium 5-(1-methylpyrrole-2-carbonyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylate (CID 86735808) is potassium 5-(1-methylpyrrole-2-carbonyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylate.
What is the SMILES notation for potassium 5-(1-methylpyrrole-2-carbonyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylate?
The canonical SMILES for potassium 5-(1-methylpyrrole-2-carbonyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylate is Cn1cccc1C(=O)c1ccc2n1CCC2C(=O)[O-].[K+].
What is the InChIKey of potassium 5-(1-methylpyrrole-2-carbonyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylate?
The InChIKey is MOVMVQUDAAYLKA-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H14N2O3.K/c1-15-7-2-3-11(15)13(17)12-5-4-10-9(14(18)19)6-8-16(10)12;/h2-5,7,9H,6,8H2,1H3,(H,18,19);/q;+1/p-1.
What are the key properties of potassium 5-(1-methylpyrrole-2-carbonyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylate?
potassium 5-(1-methylpyrrole-2-carbonyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylate has a molecular weight of 296.37 g/mol, XLogP of -2.70, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 5-(1-methylpyrrole-2-carbonyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylate is sourced from PubChem (CID 86735808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).