1,5-dimethyl-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]pyrrole-2-carboxamide

C13H20N2O2 — CID 35246071

IUPAC1,5-dimethyl-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]pyrrole-2-carboxamide
SMILESCc1ccc(C(=O)N[C@@H](C)[C@H]2CCCO2)n1C
InChIInChI=1S/C13H20N2O2/c1-9-6-7-11(15(9)3)13(16)14-10(2)12-5-4-8-17-12/h6-7,10,12H,4-5,8H2,1-3H3,(H,14,16)/t10-,12+/m0/s1
InChIKeyQAFMUEXHQIOURO-CMPLNLGQSA-N
MW236.31 g/mol
LogP1.63
Rot. Bonds3

About 1,5-dimethyl-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]pyrrole-2-carboxamide

1,5-dimethyl-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]pyrrole-2-carboxamide (PubChem CID 35246071) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 1,5-dimethyl-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]pyrrole-2-carboxamide.

Molecular Properties

Compound Name1,5-dimethyl-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]pyrrole-2-carboxamide
PubChem CID35246071
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name1,5-dimethyl-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]pyrrole-2-carboxamide
SMILESCc1ccc(C(=O)N[C@@H](C)[C@H]2CCCO2)n1C
InChIInChI=1S/C13H20N2O2/c1-9-6-7-11(15(9)3)13(16)14-10(2)12-5-4-8-17-12/h6-7,10,12H,4-5,8H2,1-3H3,(H,14,16)/t10-,12+/m0/s1
InChIKeyQAFMUEXHQIOURO-CMPLNLGQSA-N
XLogP1.63
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]benzamide
CID 27232652
5-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]-2-N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]thiophene-2,5-dicarboxamide
CID 98786018
2,3,4,5,6-pentafluoro-N-[1-(oxolan-2-yl)ethyl]benzamide
CID 6466404
3,5-dimethyl-N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]benzamide
CID 27233431
2-ethyl-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]pyrazole-3-carboxamide
CID 51390415
2-ethyl-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]pyrazole-3-carboxamide
CID 51390417
N-[1-(oxolan-2-yl)ethyl]-4-propan-2-ylbenzamide
CID 6468560
5-methyl-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]thiophene-3-carboxamide
CID 1247088
1,3-dimethyl-N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]pyrazole-4-carboxamide
CID 51390176
5-methyl-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]-2-phenyltriazole-4-carboxamide
CID 35243595
2,3-difluoro-N-[1-(oxolan-2-yl)ethyl]benzamide
CID 62648709
N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]thiophene-3-carboxamide
CID 35235171

Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]pyrrole-2-carboxamide?
The IUPAC name of 1,5-dimethyl-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]pyrrole-2-carboxamide (CID 35246071) is 1,5-dimethyl-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]pyrrole-2-carboxamide.
What is the SMILES notation for 1,5-dimethyl-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]pyrrole-2-carboxamide?
The canonical SMILES for 1,5-dimethyl-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]pyrrole-2-carboxamide is Cc1ccc(C(=O)N[C@@H](C)[C@H]2CCCO2)n1C.
What is the InChIKey of 1,5-dimethyl-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]pyrrole-2-carboxamide?
The InChIKey is QAFMUEXHQIOURO-CMPLNLGQSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-9-6-7-11(15(9)3)13(16)14-10(2)12-5-4-8-17-12/h6-7,10,12H,4-5,8H2,1-3H3,(H,14,16)/t10-,12+/m0/s1.
What are the key properties of 1,5-dimethyl-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]pyrrole-2-carboxamide?
1,5-dimethyl-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]pyrrole-2-carboxamide has a molecular weight of 236.31 g/mol, XLogP of 1.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]pyrrole-2-carboxamide is sourced from PubChem (CID 35246071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).