6-methyl-1,2,3,4-tetrahydropyridine-3-carbonitrile

C7H10N2 — CID 150638268

IUPAC6-methyl-1,2,3,4-tetrahydropyridine-3-carbonitrile
SMILESCC1=CCC(C#N)CN1
InChIInChI=1S/C7H10N2/c1-6-2-3-7(4-8)5-9-6/h2,7,9H,3,5H2,1H3
InChIKeyIZIUXVWVDDEUMG-UHFFFAOYSA-N
MW122.17 g/mol
LogP1.02
Rot. Bonds

About 6-methyl-1,2,3,4-tetrahydropyridine-3-carbonitrile

6-methyl-1,2,3,4-tetrahydropyridine-3-carbonitrile (PubChem CID 150638268) has the molecular formula C7H10N2 and a molecular weight of 122.17 g/mol. Its IUPAC name is 6-methyl-1,2,3,4-tetrahydropyridine-3-carbonitrile.

Molecular Properties

Compound Name6-methyl-1,2,3,4-tetrahydropyridine-3-carbonitrile
PubChem CID150638268
Molecular FormulaC7H10N2
Molecular Weight122.17 g/mol
Exact Mass122.08
IUPAC Name6-methyl-1,2,3,4-tetrahydropyridine-3-carbonitrile
SMILESCC1=CCC(C#N)CN1
InChIInChI=1S/C7H10N2/c1-6-2-3-7(4-8)5-9-6/h2,7,9H,3,5H2,1H3
InChIKeyIZIUXVWVDDEUMG-UHFFFAOYSA-N
XLogP1.02
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.17
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 53231492
(4-cyanocyclohexen-1-yl)boronic acid
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CID 89367370
piperidine-4-carbonitrile;toluene
CID 174346511
(1S)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohex-3-ene-1-carbonitrile
CID 99771074
5-methoxypiperidine-3-carbonitrile
CID 123182758
5-methyl-2-propan-2-yl-2,3-dihydro-1H-pyrrole
CID 55285988
5-methyl-3-propan-2-yl-2,3-dihydro-1H-pyrrole
CID 138707772
azetidine-3-carbonitrile;benzylbenzene
CID 175590459
ethane;4-methylcyclopentene-1-carbonitrile
CID 156838774
4-heptylcyclohexa-1,5-diene-1-carbonitrile
CID 90815913
(3R,5S)-5-phenylpyrrolidine-3-carbonitrile
CID 169170901

Frequently Asked Questions

What is the IUPAC name of 6-methyl-1,2,3,4-tetrahydropyridine-3-carbonitrile?
The IUPAC name of 6-methyl-1,2,3,4-tetrahydropyridine-3-carbonitrile (CID 150638268) is 6-methyl-1,2,3,4-tetrahydropyridine-3-carbonitrile.
What is the SMILES notation for 6-methyl-1,2,3,4-tetrahydropyridine-3-carbonitrile?
The canonical SMILES for 6-methyl-1,2,3,4-tetrahydropyridine-3-carbonitrile is CC1=CCC(C#N)CN1.
What is the InChIKey of 6-methyl-1,2,3,4-tetrahydropyridine-3-carbonitrile?
The InChIKey is IZIUXVWVDDEUMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2/c1-6-2-3-7(4-8)5-9-6/h2,7,9H,3,5H2,1H3.
What are the key properties of 6-methyl-1,2,3,4-tetrahydropyridine-3-carbonitrile?
6-methyl-1,2,3,4-tetrahydropyridine-3-carbonitrile has a molecular weight of 122.17 g/mol, XLogP of 1.02, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1,2,3,4-tetrahydropyridine-3-carbonitrile is sourced from PubChem (CID 150638268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).