4-[(1R)-1-amino-3-hydroxypropyl]-1H-pyrrole-2-carbonitrile

C8H11N3O — CID 131031111

IUPAC4-[(1R)-1-amino-3-hydroxypropyl]-1H-pyrrole-2-carbonitrile
SMILESN#Cc1cc([C@H](N)CCO)c[nH]1
InChIInChI=1S/C8H11N3O/c9-4-7-3-6(5-11-7)8(10)1-2-12/h3,5,8,11-12H,1-2,10H2/t8-/m1/s1
InChIKeyKVGREMLPBNCYES-MRVPVSSYSA-N
MW165.20 g/mol
LogP0.27
Rot. Bonds3

About 4-[(1R)-1-amino-3-hydroxypropyl]-1H-pyrrole-2-carbonitrile

4-[(1R)-1-amino-3-hydroxypropyl]-1H-pyrrole-2-carbonitrile (PubChem CID 131031111) has the molecular formula C8H11N3O and a molecular weight of 165.20 g/mol. Its IUPAC name is 4-[(1R)-1-amino-3-hydroxypropyl]-1H-pyrrole-2-carbonitrile.

Molecular Properties

Compound Name4-[(1R)-1-amino-3-hydroxypropyl]-1H-pyrrole-2-carbonitrile
PubChem CID131031111
Molecular FormulaC8H11N3O
Molecular Weight165.20 g/mol
Exact Mass165.09
IUPAC Name4-[(1R)-1-amino-3-hydroxypropyl]-1H-pyrrole-2-carbonitrile
SMILESN#Cc1cc([C@H](N)CCO)c[nH]1
InChIInChI=1S/C8H11N3O/c9-4-7-3-6(5-11-7)8(10)1-2-12/h3,5,8,11-12H,1-2,10H2/t8-/m1/s1
InChIKeyKVGREMLPBNCYES-MRVPVSSYSA-N
XLogP0.27
TPSA85.83 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.20
LogP ≤ 50.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-3-amino-3-(5-bromo-1H-pyrrol-3-yl)propan-1-ol
CID 131057053
4-[(1R)-1-amino-2,2,2-trifluoroethyl]-1H-pyrrole-2-carbonitrile
CID 130641793
4-[(1S)-1-amino-3-hydroxypropyl]benzonitrile;hydrochloride
CID 171217708
5-[(1R)-1-amino-3-hydroxypropyl]-1H-pyridin-2-one
CID 55292250
4-[(1R)-1-amino-3-hydroxypropyl]-2-methylbenzonitrile
CID 55270566
3-[(1S)-1-amino-3-hydroxypropyl]-1H-pyrrole-2-carbonitrile
CID 130664887
5-(1-amino-3-hydroxypropyl)pyridine-2-carbonitrile
CID 55293167
5-(1-amino-3-hydroxypropyl)-2-(dimethylamino)benzonitrile
CID 170875034
5-(1-amino-3-hydroxypropyl)benzene-1,2,3-triol;hydrochloride
CID 170874409
(3R)-3-amino-3-(3,5-dichlorophenyl)propan-1-ol;hydrochloride
CID 171202547
(3S)-3-amino-3-(5-amino-1H-pyrrol-3-yl)propanenitrile
CID 130971587
(3R)-3-amino-3-(3,5-difluorophenyl)propan-1-ol;hydrochloride
CID 171204525

Frequently Asked Questions

What is the IUPAC name of 4-[(1R)-1-amino-3-hydroxypropyl]-1H-pyrrole-2-carbonitrile?
The IUPAC name of 4-[(1R)-1-amino-3-hydroxypropyl]-1H-pyrrole-2-carbonitrile (CID 131031111) is 4-[(1R)-1-amino-3-hydroxypropyl]-1H-pyrrole-2-carbonitrile.
What is the SMILES notation for 4-[(1R)-1-amino-3-hydroxypropyl]-1H-pyrrole-2-carbonitrile?
The canonical SMILES for 4-[(1R)-1-amino-3-hydroxypropyl]-1H-pyrrole-2-carbonitrile is N#Cc1cc([C@H](N)CCO)c[nH]1.
What is the InChIKey of 4-[(1R)-1-amino-3-hydroxypropyl]-1H-pyrrole-2-carbonitrile?
The InChIKey is KVGREMLPBNCYES-MRVPVSSYSA-N. The full InChI is InChI=1S/C8H11N3O/c9-4-7-3-6(5-11-7)8(10)1-2-12/h3,5,8,11-12H,1-2,10H2/t8-/m1/s1.
What are the key properties of 4-[(1R)-1-amino-3-hydroxypropyl]-1H-pyrrole-2-carbonitrile?
4-[(1R)-1-amino-3-hydroxypropyl]-1H-pyrrole-2-carbonitrile has a molecular weight of 165.20 g/mol, XLogP of 0.27, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1R)-1-amino-3-hydroxypropyl]-1H-pyrrole-2-carbonitrile is sourced from PubChem (CID 131031111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).