methyl (5R)-5-(2-methylpropyl)-1,2-dihydropyrrole-5-carboxylate

C10H17NO2 — CID 135037455

IUPACmethyl (5R)-5-(2-methylpropyl)-1,2-dihydropyrrole-5-carboxylate
SMILESCOC(=O)[C@@]1(CC(C)C)C=CCN1
InChIInChI=1S/C10H17NO2/c1-8(2)7-10(9(12)13-3)5-4-6-11-10/h4-5,8,11H,6-7H2,1-3H3/t10-/m0/s1
InChIKeyJVJOQZSOCIYELK-JTQLQIEISA-N
MW183.25 g/mol
LogP1.10
Rot. Bonds3

About methyl (5R)-5-(2-methylpropyl)-1,2-dihydropyrrole-5-carboxylate

methyl (5R)-5-(2-methylpropyl)-1,2-dihydropyrrole-5-carboxylate (PubChem CID 135037455) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is methyl (5R)-5-(2-methylpropyl)-1,2-dihydropyrrole-5-carboxylate.

Molecular Properties

Compound Namemethyl (5R)-5-(2-methylpropyl)-1,2-dihydropyrrole-5-carboxylate
PubChem CID135037455
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Namemethyl (5R)-5-(2-methylpropyl)-1,2-dihydropyrrole-5-carboxylate
SMILESCOC(=O)[C@@]1(CC(C)C)C=CCN1
InChIInChI=1S/C10H17NO2/c1-8(2)7-10(9(12)13-3)5-4-6-11-10/h4-5,8,11H,6-7H2,1-3H3/t10-/m0/s1
InChIKeyJVJOQZSOCIYELK-JTQLQIEISA-N
XLogP1.10
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl (5R)-5-(2-methylpropyl)-1,2-dihydropyrrole-5-carboxylate?
The IUPAC name of methyl (5R)-5-(2-methylpropyl)-1,2-dihydropyrrole-5-carboxylate (CID 135037455) is methyl (5R)-5-(2-methylpropyl)-1,2-dihydropyrrole-5-carboxylate.
What is the SMILES notation for methyl (5R)-5-(2-methylpropyl)-1,2-dihydropyrrole-5-carboxylate?
The canonical SMILES for methyl (5R)-5-(2-methylpropyl)-1,2-dihydropyrrole-5-carboxylate is COC(=O)[C@@]1(CC(C)C)C=CCN1.
What is the InChIKey of methyl (5R)-5-(2-methylpropyl)-1,2-dihydropyrrole-5-carboxylate?
The InChIKey is JVJOQZSOCIYELK-JTQLQIEISA-N. The full InChI is InChI=1S/C10H17NO2/c1-8(2)7-10(9(12)13-3)5-4-6-11-10/h4-5,8,11H,6-7H2,1-3H3/t10-/m0/s1.
What are the key properties of methyl (5R)-5-(2-methylpropyl)-1,2-dihydropyrrole-5-carboxylate?
methyl (5R)-5-(2-methylpropyl)-1,2-dihydropyrrole-5-carboxylate has a molecular weight of 183.25 g/mol, XLogP of 1.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (5R)-5-(2-methylpropyl)-1,2-dihydropyrrole-5-carboxylate is sourced from PubChem (CID 135037455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).