1-tert-butyl-N-(oxolan-3-yl)pyrrole-3-carboxamide

C13H20N2O2 — CID 167621877

IUPAC1-tert-butyl-N-(oxolan-3-yl)pyrrole-3-carboxamide
SMILESCC(C)(C)n1ccc(C(=O)NC2CCOC2)c1
InChIInChI=1S/C13H20N2O2/c1-13(2,3)15-6-4-10(8-15)12(16)14-11-5-7-17-9-11/h4,6,8,11H,5,7,9H2,1-3H3,(H,14,16)
InChIKeyDSULNXQDSRRFCF-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.76
Rot. Bonds2

About 1-tert-butyl-N-(oxolan-3-yl)pyrrole-3-carboxamide

1-tert-butyl-N-(oxolan-3-yl)pyrrole-3-carboxamide (PubChem CID 167621877) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 1-tert-butyl-N-(oxolan-3-yl)pyrrole-3-carboxamide.

Molecular Properties

Compound Name1-tert-butyl-N-(oxolan-3-yl)pyrrole-3-carboxamide
PubChem CID167621877
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name1-tert-butyl-N-(oxolan-3-yl)pyrrole-3-carboxamide
SMILESCC(C)(C)n1ccc(C(=O)NC2CCOC2)c1
InChIInChI=1S/C13H20N2O2/c1-13(2,3)15-6-4-10(8-15)12(16)14-11-5-7-17-9-11/h4,6,8,11H,5,7,9H2,1-3H3,(H,14,16)
InChIKeyDSULNXQDSRRFCF-UHFFFAOYSA-N
XLogP1.76
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 4-[(1-tert-butylpyrrole-3-carbonyl)amino]piperidine-1-carboxylate
CID 110699015
N-(oxolan-3-yl)furan-3-carboxamide
CID 130743970
4-hydroxy-N-(oxolan-3-yl)benzamide
CID 80713158
5-tert-butyl-N-[(3R)-oxolan-3-yl]thiophene-3-carboxamide
CID 140901140
3-methyl-N-[(3R)-oxolan-3-yl]imidazo[1,2-a]pyridine-7-carboxamide
CID 138005256
1-methyl-N-[(3S)-oxolan-3-yl]pyrazole-3-carboxamide
CID 168910444
2-methyl-N-(oxolan-3-yl)pyridine-4-carboxamide
CID 139360784
1-methyl-N-(oxan-3-yl)-2-oxopyridine-4-carboxamide
CID 113232784
2,2-dimethyl-N-(oxolan-3-yl)propanamide
CID 58469645
2-methyl-N-[(3R)-oxolan-3-yl]benzamide
CID 70845923
2-methyl-N-[(3S)-oxolan-3-yl]benzamide
CID 70955221
4-ethyl-N-(oxolan-3-yl)-3-sulfamoylbenzamide
CID 80715253

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-N-(oxolan-3-yl)pyrrole-3-carboxamide?
The IUPAC name of 1-tert-butyl-N-(oxolan-3-yl)pyrrole-3-carboxamide (CID 167621877) is 1-tert-butyl-N-(oxolan-3-yl)pyrrole-3-carboxamide.
What is the SMILES notation for 1-tert-butyl-N-(oxolan-3-yl)pyrrole-3-carboxamide?
The canonical SMILES for 1-tert-butyl-N-(oxolan-3-yl)pyrrole-3-carboxamide is CC(C)(C)n1ccc(C(=O)NC2CCOC2)c1.
What is the InChIKey of 1-tert-butyl-N-(oxolan-3-yl)pyrrole-3-carboxamide?
The InChIKey is DSULNXQDSRRFCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-13(2,3)15-6-4-10(8-15)12(16)14-11-5-7-17-9-11/h4,6,8,11H,5,7,9H2,1-3H3,(H,14,16).
What are the key properties of 1-tert-butyl-N-(oxolan-3-yl)pyrrole-3-carboxamide?
1-tert-butyl-N-(oxolan-3-yl)pyrrole-3-carboxamide has a molecular weight of 236.31 g/mol, XLogP of 1.76, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-N-(oxolan-3-yl)pyrrole-3-carboxamide is sourced from PubChem (CID 167621877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).