tert-butyl 2,3-dipropylpyrrole-1-carboxylate

C15H25NO2 — CID 71425473

IUPACtert-butyl 2,3-dipropylpyrrole-1-carboxylate
SMILESCCCc1ccn(C(=O)OC(C)(C)C)c1CCC
InChIInChI=1S/C15H25NO2/c1-6-8-12-10-11-16(13(12)9-7-2)14(17)18-15(3,4)5/h10-11H,6-9H2,1-5H3
InChIKeyWGTLYUWPTIVJRR-UHFFFAOYSA-N
MW251.37 g/mol
LogP4.18
Rot. Bonds4

About tert-butyl 2,3-dipropylpyrrole-1-carboxylate

tert-butyl 2,3-dipropylpyrrole-1-carboxylate (PubChem CID 71425473) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is tert-butyl 2,3-dipropylpyrrole-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2,3-dipropylpyrrole-1-carboxylate
PubChem CID71425473
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Nametert-butyl 2,3-dipropylpyrrole-1-carboxylate
SMILESCCCc1ccn(C(=O)OC(C)(C)C)c1CCC
InChIInChI=1S/C15H25NO2/c1-6-8-12-10-11-16(13(12)9-7-2)14(17)18-15(3,4)5/h10-11H,6-9H2,1-5H3
InChIKeyWGTLYUWPTIVJRR-UHFFFAOYSA-N
XLogP4.18
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze tert-butyl 2,3-dipropylpyrrole-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl 4-propylindole-1-carboxylate
CID 70451339
tert-butyl 3-(2-chloroethyl)-2-cyanopyrrole-1-carboxylate
CID 141144090
tert-butyl 6-oxa-2-azabicyclo[3.1.0]hexa-1(5),3-diene-2-carboxylate
CID 141328929
1-O-tert-butyl 2-O-methyl 3-prop-2-enylpyrrole-1,2-dicarboxylate
CID 139497955
tert-butyl 4-bromo-2-ethylimidazole-1-carboxylate
CID 130115493
tert-butyl 5-hydroxyindole-1-carboxylate
CID 22596220
tert-butyl 5-sulfanylindole-1-carboxylate
CID 67040248
tert-butyl 5-bromoindole-1-carboxylate
CID 76974567
CID 89473353
CID 89473353
tert-butyl furo[3,4-b]pyrrole-1-carboxylate
CID 168870620
tert-butyl 2-(cyclohexylmethyl)pyrrole-1-carboxylate
CID 131744647
tert-butyl 5-chloro-3-ethylpyrrolo[3,2-b]pyridine-1-carboxylate
CID 123936275

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2,3-dipropylpyrrole-1-carboxylate?
The IUPAC name of tert-butyl 2,3-dipropylpyrrole-1-carboxylate (CID 71425473) is tert-butyl 2,3-dipropylpyrrole-1-carboxylate.
What is the SMILES notation for tert-butyl 2,3-dipropylpyrrole-1-carboxylate?
The canonical SMILES for tert-butyl 2,3-dipropylpyrrole-1-carboxylate is CCCc1ccn(C(=O)OC(C)(C)C)c1CCC.
What is the InChIKey of tert-butyl 2,3-dipropylpyrrole-1-carboxylate?
The InChIKey is WGTLYUWPTIVJRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-6-8-12-10-11-16(13(12)9-7-2)14(17)18-15(3,4)5/h10-11H,6-9H2,1-5H3.
What are the key properties of tert-butyl 2,3-dipropylpyrrole-1-carboxylate?
tert-butyl 2,3-dipropylpyrrole-1-carboxylate has a molecular weight of 251.37 g/mol, XLogP of 4.18, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2,3-dipropylpyrrole-1-carboxylate is sourced from PubChem (CID 71425473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).