(2-oxo-2-propan-2-yloxyethyl) 4-chloro-1H-pyrrole-2-carboxylate

C10H12ClNO4 — CID 35710298

IUPAC(2-oxo-2-propan-2-yloxyethyl) 4-chloro-1H-pyrrole-2-carboxylate
SMILESCC(C)OC(=O)COC(=O)c1cc(Cl)c[nH]1
InChIInChI=1S/C10H12ClNO4/c1-6(2)16-9(13)5-15-10(14)8-3-7(11)4-12-8/h3-4,6,12H,5H2,1-2H3
InChIKeyMIALNHJRDITFMO-UHFFFAOYSA-N
MW245.66 g/mol
LogP1.78
Rot. Bonds4

About (2-oxo-2-propan-2-yloxyethyl) 4-chloro-1H-pyrrole-2-carboxylate

(2-oxo-2-propan-2-yloxyethyl) 4-chloro-1H-pyrrole-2-carboxylate (PubChem CID 35710298) has the molecular formula C10H12ClNO4 and a molecular weight of 245.66 g/mol. Its IUPAC name is (2-oxo-2-propan-2-yloxyethyl) 4-chloro-1H-pyrrole-2-carboxylate.

Molecular Properties

Compound Name(2-oxo-2-propan-2-yloxyethyl) 4-chloro-1H-pyrrole-2-carboxylate
PubChem CID35710298
Molecular FormulaC10H12ClNO4
Molecular Weight245.66 g/mol
Exact Mass245.05
IUPAC Name(2-oxo-2-propan-2-yloxyethyl) 4-chloro-1H-pyrrole-2-carboxylate
SMILESCC(C)OC(=O)COC(=O)c1cc(Cl)c[nH]1
InChIInChI=1S/C10H12ClNO4/c1-6(2)16-9(13)5-15-10(14)8-3-7(11)4-12-8/h3-4,6,12H,5H2,1-2H3
InChIKeyMIALNHJRDITFMO-UHFFFAOYSA-N
XLogP1.78
TPSA68.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.66
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

propan-2-yl 4-chloro-1H-pyrrole-2-carboxylate
CID 112723005
[2-[(4-ethoxy-4-oxobutyl)amino]-2-oxoethyl] 4-chloro-1H-pyrrole-2-carboxylate
CID 18122897
[2-(2-methoxycarbonylanilino)-2-oxoethyl] 4-chloro-1H-pyrrole-2-carboxylate
CID 18122861
[2-[cyclohexyl(methyl)amino]-2-oxoethyl] 4-chloro-1H-pyrrole-2-carboxylate
CID 18122871
[2-[(3-tert-butyl-1,2-oxazol-5-yl)amino]-2-oxoethyl] 4-chloro-1H-pyrrole-2-carboxylate
CID 18123020
[2-[4-(methylcarbamoyl)anilino]-2-oxoethyl] 4-chloro-1H-pyrrole-2-carboxylate
CID 18123039
[2-[(2-methylphenyl)methylamino]-2-oxoethyl] 4-chloro-1H-pyrrole-2-carboxylate
CID 18123042
[2-(cyclohexylmethylamino)-2-oxoethyl] 4-chloro-1H-pyrrole-2-carboxylate
CID 18122851
[2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl] 4-chloro-1H-pyrrole-2-carboxylate
CID 18122852
[2-(3,4-diethoxyanilino)-2-oxoethyl] 4-chloro-1H-pyrrole-2-carboxylate
CID 55425680
(2-oxo-2-propan-2-yloxyethyl) 2-amino-6-chlorobenzoate
CID 63661316
N-(2-aminopropyl)-4-chloro-1H-pyrrole-2-carboxamide
CID 63732311

Frequently Asked Questions

What is the IUPAC name of (2-oxo-2-propan-2-yloxyethyl) 4-chloro-1H-pyrrole-2-carboxylate?
The IUPAC name of (2-oxo-2-propan-2-yloxyethyl) 4-chloro-1H-pyrrole-2-carboxylate (CID 35710298) is (2-oxo-2-propan-2-yloxyethyl) 4-chloro-1H-pyrrole-2-carboxylate.
What is the SMILES notation for (2-oxo-2-propan-2-yloxyethyl) 4-chloro-1H-pyrrole-2-carboxylate?
The canonical SMILES for (2-oxo-2-propan-2-yloxyethyl) 4-chloro-1H-pyrrole-2-carboxylate is CC(C)OC(=O)COC(=O)c1cc(Cl)c[nH]1.
What is the InChIKey of (2-oxo-2-propan-2-yloxyethyl) 4-chloro-1H-pyrrole-2-carboxylate?
The InChIKey is MIALNHJRDITFMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNO4/c1-6(2)16-9(13)5-15-10(14)8-3-7(11)4-12-8/h3-4,6,12H,5H2,1-2H3.
What are the key properties of (2-oxo-2-propan-2-yloxyethyl) 4-chloro-1H-pyrrole-2-carboxylate?
(2-oxo-2-propan-2-yloxyethyl) 4-chloro-1H-pyrrole-2-carboxylate has a molecular weight of 245.66 g/mol, XLogP of 1.78, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxo-2-propan-2-yloxyethyl) 4-chloro-1H-pyrrole-2-carboxylate is sourced from PubChem (CID 35710298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).