(2R)-2-(hydroxymethyl)-3-(5-methylthiophen-2-yl)propanenitrile

C9H11NOS — CID 97034997

IUPAC(2R)-2-(hydroxymethyl)-3-(5-methylthiophen-2-yl)propanenitrile
SMILESCc1ccc(C[C@H](C#N)CO)s1
InChIInChI=1S/C9H11NOS/c1-7-2-3-9(12-7)4-8(5-10)6-11/h2-3,8,11H,4,6H2,1H3/t8-/m1/s1
InChIKeyGLOCQKBHUVJNPN-MRVPVSSYSA-N
MW181.26 g/mol
LogP1.73
Rot. Bonds3

About (2R)-2-(hydroxymethyl)-3-(5-methylthiophen-2-yl)propanenitrile

(2R)-2-(hydroxymethyl)-3-(5-methylthiophen-2-yl)propanenitrile (PubChem CID 97034997) has the molecular formula C9H11NOS and a molecular weight of 181.26 g/mol. Its IUPAC name is (2R)-2-(hydroxymethyl)-3-(5-methylthiophen-2-yl)propanenitrile.

Molecular Properties

Compound Name(2R)-2-(hydroxymethyl)-3-(5-methylthiophen-2-yl)propanenitrile
PubChem CID97034997
Molecular FormulaC9H11NOS
Molecular Weight181.26 g/mol
Exact Mass181.06
IUPAC Name(2R)-2-(hydroxymethyl)-3-(5-methylthiophen-2-yl)propanenitrile
SMILESCc1ccc(C[C@H](C#N)CO)s1
InChIInChI=1S/C9H11NOS/c1-7-2-3-9(12-7)4-8(5-10)6-11/h2-3,8,11H,4,6H2,1H3/t8-/m1/s1
InChIKeyGLOCQKBHUVJNPN-MRVPVSSYSA-N
XLogP1.73
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.26
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-methylthiophen-2-yl)propan-2-ol
CID 13111508
(2R)-1-(5-methylthiophen-2-yl)propan-2-amine
CID 18656698
2-[(3,4-dimethylphenyl)methyl]-3-hydroxypropanenitrile
CID 55163673
2-methyl-5-(2-methylbutyl)thiophene
CID 88977809
3-(5-methylthiophen-2-yl)propanenitrile
CID 67437836
[5-(hydroxymethyl)-2,4-bis[(5-methylthiophen-2-yl)methyl]phenyl]methanol
CID 102290574
2-cyano-N-[(5-methylthiophen-2-yl)methyl]butanamide
CID 55209942
(2S)-3-[(5-methylthiophen-2-yl)methylamino]propane-1,2-diol
CID 62056240
[5-[5-(5-methylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]methanol
CID 54194493
2-[(2,5-dimethoxyphenyl)methyl]-3-hydroxypropanenitrile
CID 82350267
2-cyano-N-[(5-methylthiophen-2-yl)methyl]pentanamide
CID 62056893
5-[(5-methylthiophen-2-yl)methylamino]pentanenitrile
CID 62056210

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(hydroxymethyl)-3-(5-methylthiophen-2-yl)propanenitrile?
The IUPAC name of (2R)-2-(hydroxymethyl)-3-(5-methylthiophen-2-yl)propanenitrile (CID 97034997) is (2R)-2-(hydroxymethyl)-3-(5-methylthiophen-2-yl)propanenitrile.
What is the SMILES notation for (2R)-2-(hydroxymethyl)-3-(5-methylthiophen-2-yl)propanenitrile?
The canonical SMILES for (2R)-2-(hydroxymethyl)-3-(5-methylthiophen-2-yl)propanenitrile is Cc1ccc(C[C@H](C#N)CO)s1.
What is the InChIKey of (2R)-2-(hydroxymethyl)-3-(5-methylthiophen-2-yl)propanenitrile?
The InChIKey is GLOCQKBHUVJNPN-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H11NOS/c1-7-2-3-9(12-7)4-8(5-10)6-11/h2-3,8,11H,4,6H2,1H3/t8-/m1/s1.
What are the key properties of (2R)-2-(hydroxymethyl)-3-(5-methylthiophen-2-yl)propanenitrile?
(2R)-2-(hydroxymethyl)-3-(5-methylthiophen-2-yl)propanenitrile has a molecular weight of 181.26 g/mol, XLogP of 1.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(hydroxymethyl)-3-(5-methylthiophen-2-yl)propanenitrile is sourced from PubChem (CID 97034997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).