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

C8H11N3O — CID 130664887

IUPAC3-[(1S)-1-amino-3-hydroxypropyl]-1H-pyrrole-2-carbonitrile
SMILESN#Cc1[nH]ccc1[C@@H](N)CCO
InChIInChI=1S/C8H11N3O/c9-5-8-6(1-3-11-8)7(10)2-4-12/h1,3,7,11-12H,2,4,10H2/t7-/m0/s1
InChIKeyUAIBKXFYRXDCDV-ZETCQYMHSA-N
MW165.20 g/mol
LogP0.27
Rot. Bonds3

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

3-[(1S)-1-amino-3-hydroxypropyl]-1H-pyrrole-2-carbonitrile (PubChem CID 130664887) has the molecular formula C8H11N3O and a molecular weight of 165.20 g/mol. Its IUPAC name is 3-[(1S)-1-amino-3-hydroxypropyl]-1H-pyrrole-2-carbonitrile.

Molecular Properties

Compound Name3-[(1S)-1-amino-3-hydroxypropyl]-1H-pyrrole-2-carbonitrile
PubChem CID130664887
Molecular FormulaC8H11N3O
Molecular Weight165.20 g/mol
Exact Mass165.09
IUPAC Name3-[(1S)-1-amino-3-hydroxypropyl]-1H-pyrrole-2-carbonitrile
SMILESN#Cc1[nH]ccc1[C@@H](N)CCO
InChIInChI=1S/C8H11N3O/c9-5-8-6(1-3-11-8)7(10)2-4-12/h1,3,7,11-12H,2,4,10H2/t7-/m0/s1
InChIKeyUAIBKXFYRXDCDV-ZETCQYMHSA-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

4-(1-amino-3-hydroxypropyl)-3-fluorobenzonitrile
CID 55298049
4-amino-3-[(1S)-1-amino-3-hydroxypropyl]benzonitrile
CID 130699567
2-[(1S)-1-amino-3-hydroxypropyl]-4-fluorobenzonitrile
CID 130648474
3-[(1R)-1-amino-3-hydroxypropyl]-6-fluoro-2-hydroxybenzonitrile
CID 131525644
3-(1-amino-3-hydroxypropyl)-4-fluorobenzonitrile
CID 55295827
4-[(1S)-1-amino-3-hydroxypropyl]-3-chlorobenzonitrile
CID 130744262
3-(2-hydroxyethyl)-1H-pyrrole-2-carbonitrile
CID 70370001
2-[2-(1-amino-3-hydroxypropyl)phenyl]acetonitrile
CID 55273402
4-[(1R)-1-amino-3-hydroxypropyl]-1H-pyrrole-2-carbonitrile
CID 131031111
(3R)-3-amino-3-(3-bromo-1H-pyrrol-2-yl)propan-1-ol
CID 130624656
4-[(1S)-1-amino-3-hydroxypropyl]benzonitrile;hydrochloride
CID 171217708
5-[(1S)-1-amino-3-hydroxypropyl]-3,4-dimethyl-1H-pyrrole-2-carbonitrile
CID 131057422

Frequently Asked Questions

What is the IUPAC name of 3-[(1S)-1-amino-3-hydroxypropyl]-1H-pyrrole-2-carbonitrile?
The IUPAC name of 3-[(1S)-1-amino-3-hydroxypropyl]-1H-pyrrole-2-carbonitrile (CID 130664887) is 3-[(1S)-1-amino-3-hydroxypropyl]-1H-pyrrole-2-carbonitrile.
What is the SMILES notation for 3-[(1S)-1-amino-3-hydroxypropyl]-1H-pyrrole-2-carbonitrile?
The canonical SMILES for 3-[(1S)-1-amino-3-hydroxypropyl]-1H-pyrrole-2-carbonitrile is N#Cc1[nH]ccc1[C@@H](N)CCO.
What is the InChIKey of 3-[(1S)-1-amino-3-hydroxypropyl]-1H-pyrrole-2-carbonitrile?
The InChIKey is UAIBKXFYRXDCDV-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H11N3O/c9-5-8-6(1-3-11-8)7(10)2-4-12/h1,3,7,11-12H,2,4,10H2/t7-/m0/s1.
What are the key properties of 3-[(1S)-1-amino-3-hydroxypropyl]-1H-pyrrole-2-carbonitrile?
3-[(1S)-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 3-[(1S)-1-amino-3-hydroxypropyl]-1H-pyrrole-2-carbonitrile is sourced from PubChem (CID 130664887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).