1-[(2R)-2-hydroxypropyl]pyrrole-2-carbonitrile

C8H10N2O — CID 106932986

IUPAC1-[(2R)-2-hydroxypropyl]pyrrole-2-carbonitrile
SMILESC[C@@H](O)Cn1cccc1C#N
InChIInChI=1S/C8H10N2O/c1-7(11)6-10-4-2-3-8(10)5-9/h2-4,7,11H,6H2,1H3/t7-/m1/s1
InChIKeyPFJOOAPHGFYTLB-SSDOTTSWSA-N
MW150.18 g/mol
LogP0.74
Rot. Bonds2

About 1-[(2R)-2-hydroxypropyl]pyrrole-2-carbonitrile

1-[(2R)-2-hydroxypropyl]pyrrole-2-carbonitrile (PubChem CID 106932986) has the molecular formula C8H10N2O and a molecular weight of 150.18 g/mol. Its IUPAC name is 1-[(2R)-2-hydroxypropyl]pyrrole-2-carbonitrile.

Molecular Properties

Compound Name1-[(2R)-2-hydroxypropyl]pyrrole-2-carbonitrile
PubChem CID106932986
Molecular FormulaC8H10N2O
Molecular Weight150.18 g/mol
Exact Mass150.08
IUPAC Name1-[(2R)-2-hydroxypropyl]pyrrole-2-carbonitrile
SMILESC[C@@H](O)Cn1cccc1C#N
InChIInChI=1S/C8H10N2O/c1-7(11)6-10-4-2-3-8(10)5-9/h2-4,7,11H,6H2,1H3/t7-/m1/s1
InChIKeyPFJOOAPHGFYTLB-SSDOTTSWSA-N
XLogP0.74
TPSA48.95 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.18
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-fluoro-2-hydroxypropyl)pyrrole-2-carbonitrile
CID 130844805
1-(2,2-difluoroethyl)pyrrole-2-carbonitrile
CID 84650304
1-(2-bromo-3,3,3-trifluoropropyl)pyrrole-2-carbonitrile
CID 114650728
1-(methoxymethyl)pyrrole-2-carbonitrile
CID 112692720
methyl 2-acetamido-3-(2-cyanopyrrol-1-yl)propanoate
CID 114650527
2-(2-cyanopyrrol-1-yl)-N-(2-methylpropyl)acetamide
CID 114652625
N-butan-2-yl-2-(2-cyanopyrrol-1-yl)acetamide
CID 114652623
1-(2-bromoethyl)pyrrole-2-carbonitrile
CID 114650712
1-(2-hydroxy-2-methylbutyl)pyrrole-2-carbonitrile
CID 114651685
1-(1-hydroxypropan-2-yl)pyrrole-2-carbonitrile
CID 126976021
1-(3-chloropropyl)pyrrole-2-carbonitrile
CID 114650702
1-(2-hydroxypropyl)imidazole-4,5-dicarbonitrile
CID 112595298

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-hydroxypropyl]pyrrole-2-carbonitrile?
The IUPAC name of 1-[(2R)-2-hydroxypropyl]pyrrole-2-carbonitrile (CID 106932986) is 1-[(2R)-2-hydroxypropyl]pyrrole-2-carbonitrile.
What is the SMILES notation for 1-[(2R)-2-hydroxypropyl]pyrrole-2-carbonitrile?
The canonical SMILES for 1-[(2R)-2-hydroxypropyl]pyrrole-2-carbonitrile is C[C@@H](O)Cn1cccc1C#N.
What is the InChIKey of 1-[(2R)-2-hydroxypropyl]pyrrole-2-carbonitrile?
The InChIKey is PFJOOAPHGFYTLB-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H10N2O/c1-7(11)6-10-4-2-3-8(10)5-9/h2-4,7,11H,6H2,1H3/t7-/m1/s1.
What are the key properties of 1-[(2R)-2-hydroxypropyl]pyrrole-2-carbonitrile?
1-[(2R)-2-hydroxypropyl]pyrrole-2-carbonitrile has a molecular weight of 150.18 g/mol, XLogP of 0.74, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-hydroxypropyl]pyrrole-2-carbonitrile is sourced from PubChem (CID 106932986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).