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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Related Compounds

5-propan-2-yl-1,4-dihydropyridine-3-carbonitrile
CID 166774812
4,5-di(propan-2-yl)benzene-1,2-dicarbonitrile
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tris(1-propan-2-ylcyclopenta-1,3-diene);terbium
CID 174728130
2,2-dimethyl-1,3-dihydropyrrole-5-carbonitrile
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(4-propan-2-ylcyclopenta-1,4-dien-1-yl)methylidenevanadium
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1-propan-2-ylcyclohepta-1,3,5-triene
CID 20800714
6-propan-2-yl-2,3-dihydro-1,4-benzodioxine-7-carbonitrile
CID 117291504
1-(4-propan-2-ylcyclohepta-1,4,6-trien-1-yl)cyclohexan-1-amine
CID 143107642
4-propan-2-yl-1,2,3,6-tetrahydropyridine
CID 23423759
3,4,5-tri(propan-2-yl)benzonitrile
CID 142404502
3-cyclopentyl-1-propan-2-ylcyclopenta-1,3-diene
CID 159952981
(1R,8aR)-1,4-dimethyl-7-propan-2-yl-1,2,3,3a,6,8a-hexahydroazulene
CID 163193328

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).