4-(1,2-dihydropyridin-6-yl)-6-methyl-3,6-dihydro-2H-pyridine-1-carboxylic acid

C12H16N2O2 — CID 121267334

IUPAC4-(1,2-dihydropyridin-6-yl)-6-methyl-3,6-dihydro-2H-pyridine-1-carboxylic acid
SMILESCC1C=C(C2=CC=CCN2)CCN1C(=O)O
InChIInChI=1S/C12H16N2O2/c1-9-8-10(5-7-14(9)12(15)16)11-4-2-3-6-13-11/h2-4,8-9,13H,5-7H2,1H3,(H,15,16)
InChIKeyHJCKEWRFKIEFQS-UHFFFAOYSA-N
MW220.27 g/mol
LogP1.73
Rot. Bonds1

About 4-(1,2-dihydropyridin-6-yl)-6-methyl-3,6-dihydro-2H-pyridine-1-carboxylic acid

4-(1,2-dihydropyridin-6-yl)-6-methyl-3,6-dihydro-2H-pyridine-1-carboxylic acid (PubChem CID 121267334) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is 4-(1,2-dihydropyridin-6-yl)-6-methyl-3,6-dihydro-2H-pyridine-1-carboxylic acid.

Molecular Properties

Compound Name4-(1,2-dihydropyridin-6-yl)-6-methyl-3,6-dihydro-2H-pyridine-1-carboxylic acid
PubChem CID121267334
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name4-(1,2-dihydropyridin-6-yl)-6-methyl-3,6-dihydro-2H-pyridine-1-carboxylic acid
SMILESCC1C=C(C2=CC=CCN2)CCN1C(=O)O
InChIInChI=1S/C12H16N2O2/c1-9-8-10(5-7-14(9)12(15)16)11-4-2-3-6-13-11/h2-4,8-9,13H,5-7H2,1H3,(H,15,16)
InChIKeyHJCKEWRFKIEFQS-UHFFFAOYSA-N
XLogP1.73
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(1,2-dihydropyridin-6-yl)-6-methyl-3,6-dihydro-2H-pyridine-1-carboxylic acid?
The IUPAC name of 4-(1,2-dihydropyridin-6-yl)-6-methyl-3,6-dihydro-2H-pyridine-1-carboxylic acid (CID 121267334) is 4-(1,2-dihydropyridin-6-yl)-6-methyl-3,6-dihydro-2H-pyridine-1-carboxylic acid.
What is the SMILES notation for 4-(1,2-dihydropyridin-6-yl)-6-methyl-3,6-dihydro-2H-pyridine-1-carboxylic acid?
The canonical SMILES for 4-(1,2-dihydropyridin-6-yl)-6-methyl-3,6-dihydro-2H-pyridine-1-carboxylic acid is CC1C=C(C2=CC=CCN2)CCN1C(=O)O.
What is the InChIKey of 4-(1,2-dihydropyridin-6-yl)-6-methyl-3,6-dihydro-2H-pyridine-1-carboxylic acid?
The InChIKey is HJCKEWRFKIEFQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-9-8-10(5-7-14(9)12(15)16)11-4-2-3-6-13-11/h2-4,8-9,13H,5-7H2,1H3,(H,15,16).
What are the key properties of 4-(1,2-dihydropyridin-6-yl)-6-methyl-3,6-dihydro-2H-pyridine-1-carboxylic acid?
4-(1,2-dihydropyridin-6-yl)-6-methyl-3,6-dihydro-2H-pyridine-1-carboxylic acid has a molecular weight of 220.27 g/mol, XLogP of 1.73, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,2-dihydropyridin-6-yl)-6-methyl-3,6-dihydro-2H-pyridine-1-carboxylic acid is sourced from PubChem (CID 121267334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).