2-methylpropyl 2-methyl-1H-pyrrole-3-carboxylate

C10H15NO2 — CID 102035979

IUPAC2-methylpropyl 2-methyl-1H-pyrrole-3-carboxylate
SMILESCc1[nH]ccc1C(=O)OCC(C)C
InChIInChI=1S/C10H15NO2/c1-7(2)6-13-10(12)9-4-5-11-8(9)3/h4-5,7,11H,6H2,1-3H3
InChIKeyMXVQMRASTZSRMQ-UHFFFAOYSA-N
MW181.24 g/mol
LogP2.14
Rot. Bonds3

About 2-methylpropyl 2-methyl-1H-pyrrole-3-carboxylate

2-methylpropyl 2-methyl-1H-pyrrole-3-carboxylate (PubChem CID 102035979) has the molecular formula C10H15NO2 and a molecular weight of 181.24 g/mol. Its IUPAC name is 2-methylpropyl 2-methyl-1H-pyrrole-3-carboxylate.

Molecular Properties

Compound Name2-methylpropyl 2-methyl-1H-pyrrole-3-carboxylate
PubChem CID102035979
Molecular FormulaC10H15NO2
Molecular Weight181.24 g/mol
Exact Mass181.11
IUPAC Name2-methylpropyl 2-methyl-1H-pyrrole-3-carboxylate
SMILESCc1[nH]ccc1C(=O)OCC(C)C
InChIInChI=1S/C10H15NO2/c1-7(2)6-13-10(12)9-4-5-11-8(9)3/h4-5,7,11H,6H2,1-3H3
InChIKeyMXVQMRASTZSRMQ-UHFFFAOYSA-N
XLogP2.14
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl 2-methyl-1H-pyrrole-3-carboxylate?
The IUPAC name of 2-methylpropyl 2-methyl-1H-pyrrole-3-carboxylate (CID 102035979) is 2-methylpropyl 2-methyl-1H-pyrrole-3-carboxylate.
What is the SMILES notation for 2-methylpropyl 2-methyl-1H-pyrrole-3-carboxylate?
The canonical SMILES for 2-methylpropyl 2-methyl-1H-pyrrole-3-carboxylate is Cc1[nH]ccc1C(=O)OCC(C)C.
What is the InChIKey of 2-methylpropyl 2-methyl-1H-pyrrole-3-carboxylate?
The InChIKey is MXVQMRASTZSRMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2/c1-7(2)6-13-10(12)9-4-5-11-8(9)3/h4-5,7,11H,6H2,1-3H3.
What are the key properties of 2-methylpropyl 2-methyl-1H-pyrrole-3-carboxylate?
2-methylpropyl 2-methyl-1H-pyrrole-3-carboxylate has a molecular weight of 181.24 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl 2-methyl-1H-pyrrole-3-carboxylate is sourced from PubChem (CID 102035979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).