5-propan-2-yl-1,4-dihydropyridine-2-carbonitrile

C9H12N2 — CID 166774800

IUPAC5-propan-2-yl-1,4-dihydropyridine-2-carbonitrile
SMILESCC(C)C1=CNC(C#N)=CC1
InChIInChI=1S/C9H12N2/c1-7(2)8-3-4-9(5-10)11-6-8/h4,6-7,11H,3H2,1-2H3
InChIKeyRLNCJEIFGNFWKP-UHFFFAOYSA-N
MW148.21 g/mol
LogP1.93
Rot. Bonds1

About 5-propan-2-yl-1,4-dihydropyridine-2-carbonitrile

5-propan-2-yl-1,4-dihydropyridine-2-carbonitrile (PubChem CID 166774800) has the molecular formula C9H12N2 and a molecular weight of 148.21 g/mol. Its IUPAC name is 5-propan-2-yl-1,4-dihydropyridine-2-carbonitrile.

Molecular Properties

Compound Name5-propan-2-yl-1,4-dihydropyridine-2-carbonitrile
PubChem CID166774800
Molecular FormulaC9H12N2
Molecular Weight148.21 g/mol
Exact Mass148.10
IUPAC Name5-propan-2-yl-1,4-dihydropyridine-2-carbonitrile
SMILESCC(C)C1=CNC(C#N)=CC1
InChIInChI=1S/C9H12N2/c1-7(2)8-3-4-9(5-10)11-6-8/h4,6-7,11H,3H2,1-2H3
InChIKeyRLNCJEIFGNFWKP-UHFFFAOYSA-N
XLogP1.93
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.21
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-propan-2-yl-1,4-dihydropyridine-2-carbonitrile?
The IUPAC name of 5-propan-2-yl-1,4-dihydropyridine-2-carbonitrile (CID 166774800) is 5-propan-2-yl-1,4-dihydropyridine-2-carbonitrile.
What is the SMILES notation for 5-propan-2-yl-1,4-dihydropyridine-2-carbonitrile?
The canonical SMILES for 5-propan-2-yl-1,4-dihydropyridine-2-carbonitrile is CC(C)C1=CNC(C#N)=CC1.
What is the InChIKey of 5-propan-2-yl-1,4-dihydropyridine-2-carbonitrile?
The InChIKey is RLNCJEIFGNFWKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2/c1-7(2)8-3-4-9(5-10)11-6-8/h4,6-7,11H,3H2,1-2H3.
What are the key properties of 5-propan-2-yl-1,4-dihydropyridine-2-carbonitrile?
5-propan-2-yl-1,4-dihydropyridine-2-carbonitrile has a molecular weight of 148.21 g/mol, XLogP of 1.93, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yl-1,4-dihydropyridine-2-carbonitrile is sourced from PubChem (CID 166774800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).