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

C15H18N2O2 — CID 83029854

IUPAC1-benzyl-N-[(2S)-2-hydroxypropyl]pyrrole-2-carboxamide
SMILESC[C@H](O)CNC(=O)c1cccn1Cc1ccccc1
InChIInChI=1S/C15H18N2O2/c1-12(18)10-16-15(19)14-8-5-9-17(14)11-13-6-3-2-4-7-13/h2-9,12,18H,10-11H2,1H3,(H,16,19)/t12-/m0/s1
InChIKeyWTPHHXSGZYWMMH-LBPRGKRZSA-N
MW258.32 g/mol
LogP1.65
Rot. Bonds5

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

1-benzyl-N-[(2S)-2-hydroxypropyl]pyrrole-2-carboxamide (PubChem CID 83029854) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 1-benzyl-N-[(2S)-2-hydroxypropyl]pyrrole-2-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-[(2S)-2-hydroxypropyl]pyrrole-2-carboxamide
PubChem CID83029854
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name1-benzyl-N-[(2S)-2-hydroxypropyl]pyrrole-2-carboxamide
SMILESC[C@H](O)CNC(=O)c1cccn1Cc1ccccc1
InChIInChI=1S/C15H18N2O2/c1-12(18)10-16-15(19)14-8-5-9-17(14)11-13-6-3-2-4-7-13/h2-9,12,18H,10-11H2,1H3,(H,16,19)/t12-/m0/s1
InChIKeyWTPHHXSGZYWMMH-LBPRGKRZSA-N
XLogP1.65
TPSA54.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-[(2S)-2-hydroxypropyl]pyrrole-2-carboxamide?
The IUPAC name of 1-benzyl-N-[(2S)-2-hydroxypropyl]pyrrole-2-carboxamide (CID 83029854) is 1-benzyl-N-[(2S)-2-hydroxypropyl]pyrrole-2-carboxamide.
What is the SMILES notation for 1-benzyl-N-[(2S)-2-hydroxypropyl]pyrrole-2-carboxamide?
The canonical SMILES for 1-benzyl-N-[(2S)-2-hydroxypropyl]pyrrole-2-carboxamide is C[C@H](O)CNC(=O)c1cccn1Cc1ccccc1.
What is the InChIKey of 1-benzyl-N-[(2S)-2-hydroxypropyl]pyrrole-2-carboxamide?
The InChIKey is WTPHHXSGZYWMMH-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-12(18)10-16-15(19)14-8-5-9-17(14)11-13-6-3-2-4-7-13/h2-9,12,18H,10-11H2,1H3,(H,16,19)/t12-/m0/s1.
What are the key properties of 1-benzyl-N-[(2S)-2-hydroxypropyl]pyrrole-2-carboxamide?
1-benzyl-N-[(2S)-2-hydroxypropyl]pyrrole-2-carboxamide has a molecular weight of 258.32 g/mol, XLogP of 1.65, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-[(2S)-2-hydroxypropyl]pyrrole-2-carboxamide is sourced from PubChem (CID 83029854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).