N-[(2S)-1-hydroxypropan-2-yl]-1H-pyrrole-3-carboxamide

C8H12N2O2 — CID 66897160

IUPACN-[(2S)-1-hydroxypropan-2-yl]-1H-pyrrole-3-carboxamide
SMILESC[C@@H](CO)NC(=O)c1cc[nH]c1
InChIInChI=1S/C8H12N2O2/c1-6(5-11)10-8(12)7-2-3-9-4-7/h2-4,6,9,11H,5H2,1H3,(H,10,12)/t6-/m0/s1
InChIKeyIGNRZYYZDYSUIA-LURJTMIESA-N
MW168.20 g/mol
LogP0.13
Rot. Bonds3

About N-[(2S)-1-hydroxypropan-2-yl]-1H-pyrrole-3-carboxamide

N-[(2S)-1-hydroxypropan-2-yl]-1H-pyrrole-3-carboxamide (PubChem CID 66897160) has the molecular formula C8H12N2O2 and a molecular weight of 168.20 g/mol. Its IUPAC name is N-[(2S)-1-hydroxypropan-2-yl]-1H-pyrrole-3-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-hydroxypropan-2-yl]-1H-pyrrole-3-carboxamide
PubChem CID66897160
Molecular FormulaC8H12N2O2
Molecular Weight168.20 g/mol
Exact Mass168.09
IUPAC NameN-[(2S)-1-hydroxypropan-2-yl]-1H-pyrrole-3-carboxamide
SMILESC[C@@H](CO)NC(=O)c1cc[nH]c1
InChIInChI=1S/C8H12N2O2/c1-6(5-11)10-8(12)7-2-3-9-4-7/h2-4,6,9,11H,5H2,1H3,(H,10,12)/t6-/m0/s1
InChIKeyIGNRZYYZDYSUIA-LURJTMIESA-N
XLogP0.13
TPSA65.12 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 50.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-hydroxypropan-2-yl]-1H-pyrrole-3-carboxamide?
The IUPAC name of N-[(2S)-1-hydroxypropan-2-yl]-1H-pyrrole-3-carboxamide (CID 66897160) is N-[(2S)-1-hydroxypropan-2-yl]-1H-pyrrole-3-carboxamide.
What is the SMILES notation for N-[(2S)-1-hydroxypropan-2-yl]-1H-pyrrole-3-carboxamide?
The canonical SMILES for N-[(2S)-1-hydroxypropan-2-yl]-1H-pyrrole-3-carboxamide is C[C@@H](CO)NC(=O)c1cc[nH]c1.
What is the InChIKey of N-[(2S)-1-hydroxypropan-2-yl]-1H-pyrrole-3-carboxamide?
The InChIKey is IGNRZYYZDYSUIA-LURJTMIESA-N. The full InChI is InChI=1S/C8H12N2O2/c1-6(5-11)10-8(12)7-2-3-9-4-7/h2-4,6,9,11H,5H2,1H3,(H,10,12)/t6-/m0/s1.
What are the key properties of N-[(2S)-1-hydroxypropan-2-yl]-1H-pyrrole-3-carboxamide?
N-[(2S)-1-hydroxypropan-2-yl]-1H-pyrrole-3-carboxamide has a molecular weight of 168.20 g/mol, XLogP of 0.13, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-hydroxypropan-2-yl]-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 66897160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).