1-(1-hydroxypropan-2-yl)pyrrole-2-carbonitrile

C8H10N2O — CID 126976021

IUPAC1-(1-hydroxypropan-2-yl)pyrrole-2-carbonitrile
SMILESCC(CO)n1cccc1C#N
InChIInChI=1S/C8H10N2O/c1-7(6-11)10-4-2-3-8(10)5-9/h2-4,7,11H,6H2,1H3
InChIKeyKKIQUNYUPPTIDZ-UHFFFAOYSA-N
MW150.18 g/mol
LogP0.91
Rot. Bonds2

About 1-(1-hydroxypropan-2-yl)pyrrole-2-carbonitrile

1-(1-hydroxypropan-2-yl)pyrrole-2-carbonitrile (PubChem CID 126976021) has the molecular formula C8H10N2O and a molecular weight of 150.18 g/mol. Its IUPAC name is 1-(1-hydroxypropan-2-yl)pyrrole-2-carbonitrile.

Molecular Properties

Compound Name1-(1-hydroxypropan-2-yl)pyrrole-2-carbonitrile
PubChem CID126976021
Molecular FormulaC8H10N2O
Molecular Weight150.18 g/mol
Exact Mass150.08
IUPAC Name1-(1-hydroxypropan-2-yl)pyrrole-2-carbonitrile
SMILESCC(CO)n1cccc1C#N
InChIInChI=1S/C8H10N2O/c1-7(6-11)10-4-2-3-8(10)5-9/h2-4,7,11H,6H2,1H3
InChIKeyKKIQUNYUPPTIDZ-UHFFFAOYSA-N
XLogP0.91
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 ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-oxobutan-2-yl)pyrrole-2-carbonitrile
CID 114651433
(2R)-2-(2-methylpyrrol-1-yl)propan-1-ol
CID 45087799
1-[(2R)-2-hydroxypropyl]pyrrole-2-carbonitrile
CID 106932986
2-(2-cyanopyrrol-1-yl)-3-methoxypropanehydrazide
CID 103229889
1-[2-tri(propan-2-yl)silylethynyl]pyrrole-2-carbonitrile
CID 132575285
1-[(2S)-2-bromopropanoyl]pyrrole-2-carbonitrile
CID 141169546
N-(3-amino-4-chlorophenyl)-2-(2-cyanopyrrol-1-yl)propanamide
CID 114650376
N-(5-amino-2-methoxyphenyl)-2-(2-cyanopyrrol-1-yl)propanamide
CID 114650260
2-(2-cyanopyrrol-1-yl)-N-(2-methylpropyl)acetamide
CID 114652625
1-(3-fluoro-2-hydroxypropyl)pyrrole-2-carbonitrile
CID 130844805
1-(2,2-difluoroethyl)pyrrole-2-carbonitrile
CID 84650304
1-(methoxymethyl)pyrrole-2-carbonitrile
CID 112692720

Frequently Asked Questions

What is the IUPAC name of 1-(1-hydroxypropan-2-yl)pyrrole-2-carbonitrile?
The IUPAC name of 1-(1-hydroxypropan-2-yl)pyrrole-2-carbonitrile (CID 126976021) is 1-(1-hydroxypropan-2-yl)pyrrole-2-carbonitrile.
What is the SMILES notation for 1-(1-hydroxypropan-2-yl)pyrrole-2-carbonitrile?
The canonical SMILES for 1-(1-hydroxypropan-2-yl)pyrrole-2-carbonitrile is CC(CO)n1cccc1C#N.
What is the InChIKey of 1-(1-hydroxypropan-2-yl)pyrrole-2-carbonitrile?
The InChIKey is KKIQUNYUPPTIDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O/c1-7(6-11)10-4-2-3-8(10)5-9/h2-4,7,11H,6H2,1H3.
What are the key properties of 1-(1-hydroxypropan-2-yl)pyrrole-2-carbonitrile?
1-(1-hydroxypropan-2-yl)pyrrole-2-carbonitrile has a molecular weight of 150.18 g/mol, XLogP of 0.91, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-hydroxypropan-2-yl)pyrrole-2-carbonitrile is sourced from PubChem (CID 126976021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).