(3-methyloxetan-3-yl)methyl 1H-pyrrole-2-carboxylate

C10H13NO3 — CID 165176051

IUPAC(3-methyloxetan-3-yl)methyl 1H-pyrrole-2-carboxylate
SMILESCC1(COC(=O)c2ccc[nH]2)COC1
InChIInChI=1S/C10H13NO3/c1-10(5-13-6-10)7-14-9(12)8-3-2-4-11-8/h2-4,11H,5-7H2,1H3
InChIKeyWBYQOGMWXTUVNF-UHFFFAOYSA-N
MW195.22 g/mol
LogP1.21
Rot. Bonds3

About (3-methyloxetan-3-yl)methyl 1H-pyrrole-2-carboxylate

(3-methyloxetan-3-yl)methyl 1H-pyrrole-2-carboxylate (PubChem CID 165176051) has the molecular formula C10H13NO3 and a molecular weight of 195.22 g/mol. Its IUPAC name is (3-methyloxetan-3-yl)methyl 1H-pyrrole-2-carboxylate.

Molecular Properties

Compound Name(3-methyloxetan-3-yl)methyl 1H-pyrrole-2-carboxylate
PubChem CID165176051
Molecular FormulaC10H13NO3
Molecular Weight195.22 g/mol
Exact Mass195.09
IUPAC Name(3-methyloxetan-3-yl)methyl 1H-pyrrole-2-carboxylate
SMILESCC1(COC(=O)c2ccc[nH]2)COC1
InChIInChI=1S/C10H13NO3/c1-10(5-13-6-10)7-14-9(12)8-3-2-4-11-8/h2-4,11H,5-7H2,1H3
InChIKeyWBYQOGMWXTUVNF-UHFFFAOYSA-N
XLogP1.21
TPSA51.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-methyloxetan-3-yl)methyl 1H-pyrrole-2-carboxylate?
The IUPAC name of (3-methyloxetan-3-yl)methyl 1H-pyrrole-2-carboxylate (CID 165176051) is (3-methyloxetan-3-yl)methyl 1H-pyrrole-2-carboxylate.
What is the SMILES notation for (3-methyloxetan-3-yl)methyl 1H-pyrrole-2-carboxylate?
The canonical SMILES for (3-methyloxetan-3-yl)methyl 1H-pyrrole-2-carboxylate is CC1(COC(=O)c2ccc[nH]2)COC1.
What is the InChIKey of (3-methyloxetan-3-yl)methyl 1H-pyrrole-2-carboxylate?
The InChIKey is WBYQOGMWXTUVNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO3/c1-10(5-13-6-10)7-14-9(12)8-3-2-4-11-8/h2-4,11H,5-7H2,1H3.
What are the key properties of (3-methyloxetan-3-yl)methyl 1H-pyrrole-2-carboxylate?
(3-methyloxetan-3-yl)methyl 1H-pyrrole-2-carboxylate has a molecular weight of 195.22 g/mol, XLogP of 1.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyloxetan-3-yl)methyl 1H-pyrrole-2-carboxylate is sourced from PubChem (CID 165176051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).