1-cyclopropyl-N-[(2S)-2-hydroxypropyl]pyrrole-2-carboxamide

C11H16N2O2 — CID 83058739

IUPAC1-cyclopropyl-N-[(2S)-2-hydroxypropyl]pyrrole-2-carboxamide
SMILESC[C@H](O)CNC(=O)c1cccn1C1CC1
InChIInChI=1S/C11H16N2O2/c1-8(14)7-12-11(15)10-3-2-6-13(10)9-4-5-9/h2-3,6,8-9,14H,4-5,7H2,1H3,(H,12,15)/t8-/m0/s1
InChIKeyPLTZSEHIQQJEOF-QMMMGPOBSA-N
MW208.26 g/mol
LogP0.93
Rot. Bonds4

About 1-cyclopropyl-N-[(2S)-2-hydroxypropyl]pyrrole-2-carboxamide

1-cyclopropyl-N-[(2S)-2-hydroxypropyl]pyrrole-2-carboxamide (PubChem CID 83058739) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 1-cyclopropyl-N-[(2S)-2-hydroxypropyl]pyrrole-2-carboxamide.

Molecular Properties

Compound Name1-cyclopropyl-N-[(2S)-2-hydroxypropyl]pyrrole-2-carboxamide
PubChem CID83058739
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name1-cyclopropyl-N-[(2S)-2-hydroxypropyl]pyrrole-2-carboxamide
SMILESC[C@H](O)CNC(=O)c1cccn1C1CC1
InChIInChI=1S/C11H16N2O2/c1-8(14)7-12-11(15)10-3-2-6-13(10)9-4-5-9/h2-3,6,8-9,14H,4-5,7H2,1H3,(H,12,15)/t8-/m0/s1
InChIKeyPLTZSEHIQQJEOF-QMMMGPOBSA-N
XLogP0.93
TPSA54.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2S)-2-hydroxypropyl]-1-piperidin-4-ylpyrrole-2-carboxamide
CID 107221129
1-cyclobutyl-N-[2-(2-hydroxypropylamino)ethyl]pyrrole-2-carboxamide
CID 114610660
1-cyclopropyl-N-ethylpyrrole-2-carboxamide
CID 130688583
1-cyclobutyl-N-(2-hydroxy-4-methylpentyl)pyrrole-2-carboxamide
CID 107155325
1-cyclopropyl-N-(4-hydroxy-2,2-dimethylpentyl)pyrrole-2-carboxamide
CID 110007410
1-cyclobutyl-N-(2-cyclopropyl-2-hydroxyethyl)pyrrole-2-carboxamide
CID 114609590
1-cyclobutyl-N-(4-hydroxypentyl)pyrrole-2-carboxamide
CID 106120457
1-cyclopentyl-N-[2-hydroxy-2-(2-methylphenyl)ethyl]pyrrole-2-carboxamide
CID 110007652
1-cyclopropyl-N-(2-hydroxyethyl)pyrrole-2-carboxamide
CID 43639342
1-cyclopropyl-N-[3-(cyclopropylmethoxy)-2-hydroxypropyl]pyrrole-2-carboxamide
CID 110007618
1-piperidin-4-yl-N-(2,3,3-trimethylbutyl)pyrrole-2-carboxamide
CID 81494193
1-cyclopropyl-N-(2-hydroxy-2-naphthalen-2-ylethyl)pyrrole-2-carboxamide
CID 110007591

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-[(2S)-2-hydroxypropyl]pyrrole-2-carboxamide?
The IUPAC name of 1-cyclopropyl-N-[(2S)-2-hydroxypropyl]pyrrole-2-carboxamide (CID 83058739) is 1-cyclopropyl-N-[(2S)-2-hydroxypropyl]pyrrole-2-carboxamide.
What is the SMILES notation for 1-cyclopropyl-N-[(2S)-2-hydroxypropyl]pyrrole-2-carboxamide?
The canonical SMILES for 1-cyclopropyl-N-[(2S)-2-hydroxypropyl]pyrrole-2-carboxamide is C[C@H](O)CNC(=O)c1cccn1C1CC1.
What is the InChIKey of 1-cyclopropyl-N-[(2S)-2-hydroxypropyl]pyrrole-2-carboxamide?
The InChIKey is PLTZSEHIQQJEOF-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-8(14)7-12-11(15)10-3-2-6-13(10)9-4-5-9/h2-3,6,8-9,14H,4-5,7H2,1H3,(H,12,15)/t8-/m0/s1.
What are the key properties of 1-cyclopropyl-N-[(2S)-2-hydroxypropyl]pyrrole-2-carboxamide?
1-cyclopropyl-N-[(2S)-2-hydroxypropyl]pyrrole-2-carboxamide has a molecular weight of 208.26 g/mol, XLogP of 0.93, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-[(2S)-2-hydroxypropyl]pyrrole-2-carboxamide is sourced from PubChem (CID 83058739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).