3-[(4R)-2-methyl-4-phenyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]-3-oxopropanenitrile

C17H16N2OS — CID 155140687

IUPAC3-[(4R)-2-methyl-4-phenyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]-3-oxopropanenitrile
SMILESCc1cc2c(s1)CN(C(=O)CC#N)C[C@@H]2c1ccccc1
InChIInChI=1S/C17H16N2OS/c1-12-9-14-15(13-5-3-2-4-6-13)10-19(11-16(14)21-12)17(20)7-8-18/h2-6,9,15H,7,10-11H2,1H3/t15-/m1/s1
InChIKeySRFLEOYNOMKHDN-OAHLLOKOSA-N
MW296.39 g/mol
LogP3.44
Rot. Bonds2

About 3-[(4R)-2-methyl-4-phenyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]-3-oxopropanenitrile

3-[(4R)-2-methyl-4-phenyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]-3-oxopropanenitrile (PubChem CID 155140687) has the molecular formula C17H16N2OS and a molecular weight of 296.39 g/mol. Its IUPAC name is 3-[(4R)-2-methyl-4-phenyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]-3-oxopropanenitrile.

Molecular Properties

Compound Name3-[(4R)-2-methyl-4-phenyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]-3-oxopropanenitrile
PubChem CID155140687
Molecular FormulaC17H16N2OS
Molecular Weight296.39 g/mol
Exact Mass296.10
IUPAC Name3-[(4R)-2-methyl-4-phenyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]-3-oxopropanenitrile
SMILESCc1cc2c(s1)CN(C(=O)CC#N)C[C@@H]2c1ccccc1
InChIInChI=1S/C17H16N2OS/c1-12-9-14-15(13-5-3-2-4-6-13)10-19(11-16(14)21-12)17(20)7-8-18/h2-6,9,15H,7,10-11H2,1H3/t15-/m1/s1
InChIKeySRFLEOYNOMKHDN-OAHLLOKOSA-N
XLogP3.44
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(4R)-2-methyl-4-phenyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]-3-oxopropanenitrile?
The IUPAC name of 3-[(4R)-2-methyl-4-phenyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]-3-oxopropanenitrile (CID 155140687) is 3-[(4R)-2-methyl-4-phenyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]-3-oxopropanenitrile.
What is the SMILES notation for 3-[(4R)-2-methyl-4-phenyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]-3-oxopropanenitrile?
The canonical SMILES for 3-[(4R)-2-methyl-4-phenyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]-3-oxopropanenitrile is Cc1cc2c(s1)CN(C(=O)CC#N)C[C@@H]2c1ccccc1.
What is the InChIKey of 3-[(4R)-2-methyl-4-phenyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]-3-oxopropanenitrile?
The InChIKey is SRFLEOYNOMKHDN-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H16N2OS/c1-12-9-14-15(13-5-3-2-4-6-13)10-19(11-16(14)21-12)17(20)7-8-18/h2-6,9,15H,7,10-11H2,1H3/t15-/m1/s1.
What are the key properties of 3-[(4R)-2-methyl-4-phenyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]-3-oxopropanenitrile?
3-[(4R)-2-methyl-4-phenyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]-3-oxopropanenitrile has a molecular weight of 296.39 g/mol, XLogP of 3.44, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4R)-2-methyl-4-phenyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]-3-oxopropanenitrile is sourced from PubChem (CID 155140687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).