oxetan-3-yl 1H-pyrrole-3-carboxylate

C8H9NO3 — CID 159484970

IUPACoxetan-3-yl 1H-pyrrole-3-carboxylate
SMILESO=C(OC1COC1)c1cc[nH]c1
InChIInChI=1S/C8H9NO3/c10-8(6-1-2-9-3-6)12-7-4-11-5-7/h1-3,7,9H,4-5H2
InChIKeyLXLUYWIGALKOPG-UHFFFAOYSA-N
MW167.16 g/mol
LogP0.57
Rot. Bonds2

About oxetan-3-yl 1H-pyrrole-3-carboxylate

oxetan-3-yl 1H-pyrrole-3-carboxylate (PubChem CID 159484970) has the molecular formula C8H9NO3 and a molecular weight of 167.16 g/mol. Its IUPAC name is oxetan-3-yl 1H-pyrrole-3-carboxylate.

Molecular Properties

Compound Nameoxetan-3-yl 1H-pyrrole-3-carboxylate
PubChem CID159484970
Molecular FormulaC8H9NO3
Molecular Weight167.16 g/mol
Exact Mass167.06
IUPAC Nameoxetan-3-yl 1H-pyrrole-3-carboxylate
SMILESO=C(OC1COC1)c1cc[nH]c1
InChIInChI=1S/C8H9NO3/c10-8(6-1-2-9-3-6)12-7-4-11-5-7/h1-3,7,9H,4-5H2
InChIKeyLXLUYWIGALKOPG-UHFFFAOYSA-N
XLogP0.57
TPSA51.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.16
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;methyl 1H-pyrrole-3-carboxylate
CID 169144888
oxetan-3-yl 4-(2-aminoethyl)benzoate
CID 102606652
oxetan-3-yl 3-amino-4-fluorobenzoate
CID 115669798
oxolan-3-yl 4-fluorobenzoate
CID 63663417
oxetan-3-yl pyrazine-2-carboxylate
CID 130693172
[(3S)-oxolan-3-yl] 1H-pyrazole-4-carboxylate
CID 130684136
oxetan-3-yl 1H-imidazole-5-carboxylate
CID 67548118
oxetan-3-yl 4-bromo-3-nitrobenzoate
CID 102608476
2-(1H-pyrrole-3-carbonyl)cyclopropane-1-carboxylic acid
CID 116918530
oxetan-3-yl 1-(4-aminophenyl)pyrazole-3-carboxylate
CID 115669822
oxolan-3-yl 4-aminobenzoate
CID 63558656
oxetan-3-yl 3-methylthiophene-2-carboxylate
CID 130619272

Frequently Asked Questions

What is the IUPAC name of oxetan-3-yl 1H-pyrrole-3-carboxylate?
The IUPAC name of oxetan-3-yl 1H-pyrrole-3-carboxylate (CID 159484970) is oxetan-3-yl 1H-pyrrole-3-carboxylate.
What is the SMILES notation for oxetan-3-yl 1H-pyrrole-3-carboxylate?
The canonical SMILES for oxetan-3-yl 1H-pyrrole-3-carboxylate is O=C(OC1COC1)c1cc[nH]c1.
What is the InChIKey of oxetan-3-yl 1H-pyrrole-3-carboxylate?
The InChIKey is LXLUYWIGALKOPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO3/c10-8(6-1-2-9-3-6)12-7-4-11-5-7/h1-3,7,9H,4-5H2.
What are the key properties of oxetan-3-yl 1H-pyrrole-3-carboxylate?
oxetan-3-yl 1H-pyrrole-3-carboxylate has a molecular weight of 167.16 g/mol, XLogP of 0.57, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for oxetan-3-yl 1H-pyrrole-3-carboxylate is sourced from PubChem (CID 159484970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).