(3S,4R)-4-(5-methylthiophen-2-yl)pyrrolidine-3-carbonitrile

C10H12N2S — CID 129494034

IUPAC(3S,4R)-4-(5-methylthiophen-2-yl)pyrrolidine-3-carbonitrile
SMILESCc1ccc([C@H]2CNC[C@H]2C#N)s1
InChIInChI=1S/C10H12N2S/c1-7-2-3-10(13-7)9-6-12-5-8(9)4-11/h2-3,8-9,12H,5-6H2,1H3/t8-,9+/m1/s1
InChIKeyVZAFJFWWBKXCMY-BDAKNGLRSA-N
MW192.29 g/mol
LogP1.88
Rot. Bonds1

About (3S,4R)-4-(5-methylthiophen-2-yl)pyrrolidine-3-carbonitrile

(3S,4R)-4-(5-methylthiophen-2-yl)pyrrolidine-3-carbonitrile (PubChem CID 129494034) has the molecular formula C10H12N2S and a molecular weight of 192.29 g/mol. Its IUPAC name is (3S,4R)-4-(5-methylthiophen-2-yl)pyrrolidine-3-carbonitrile.

Molecular Properties

Compound Name(3S,4R)-4-(5-methylthiophen-2-yl)pyrrolidine-3-carbonitrile
PubChem CID129494034
Molecular FormulaC10H12N2S
Molecular Weight192.29 g/mol
Exact Mass192.07
IUPAC Name(3S,4R)-4-(5-methylthiophen-2-yl)pyrrolidine-3-carbonitrile
SMILESCc1ccc([C@H]2CNC[C@H]2C#N)s1
InChIInChI=1S/C10H12N2S/c1-7-2-3-10(13-7)9-6-12-5-8(9)4-11/h2-3,8-9,12H,5-6H2,1H3/t8-,9+/m1/s1
InChIKeyVZAFJFWWBKXCMY-BDAKNGLRSA-N
XLogP1.88
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.29
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S,4R)-4-(5-methylthiophen-2-yl)pyrrolidine-3-carbonitrile?
The IUPAC name of (3S,4R)-4-(5-methylthiophen-2-yl)pyrrolidine-3-carbonitrile (CID 129494034) is (3S,4R)-4-(5-methylthiophen-2-yl)pyrrolidine-3-carbonitrile.
What is the SMILES notation for (3S,4R)-4-(5-methylthiophen-2-yl)pyrrolidine-3-carbonitrile?
The canonical SMILES for (3S,4R)-4-(5-methylthiophen-2-yl)pyrrolidine-3-carbonitrile is Cc1ccc([C@H]2CNC[C@H]2C#N)s1.
What is the InChIKey of (3S,4R)-4-(5-methylthiophen-2-yl)pyrrolidine-3-carbonitrile?
The InChIKey is VZAFJFWWBKXCMY-BDAKNGLRSA-N. The full InChI is InChI=1S/C10H12N2S/c1-7-2-3-10(13-7)9-6-12-5-8(9)4-11/h2-3,8-9,12H,5-6H2,1H3/t8-,9+/m1/s1.
What are the key properties of (3S,4R)-4-(5-methylthiophen-2-yl)pyrrolidine-3-carbonitrile?
(3S,4R)-4-(5-methylthiophen-2-yl)pyrrolidine-3-carbonitrile has a molecular weight of 192.29 g/mol, XLogP of 1.88, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-4-(5-methylthiophen-2-yl)pyrrolidine-3-carbonitrile is sourced from PubChem (CID 129494034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).