2-methyl-2,3-dihydropyridine;2-methyl-3,4-dihydro-2H-pyrrole

C11H18N2 — CID 158931193

IUPAC2-methyl-2,3-dihydropyridine;2-methyl-3,4-dihydro-2H-pyrrole
SMILESCC1CC=CC=N1.CC1CCC=N1
InChIInChI=1S/C6H9N.C5H9N/c1-6-4-2-3-5-7-6;1-5-3-2-4-6-5/h2-3,5-6H,4H2,1H3;4-5H,2-3H2,1H3
InChIKeyJJBRCHKDQIPLOO-UHFFFAOYSA-N
MW178.28 g/mol
LogP2.65
Rot. Bonds

About 2-methyl-2,3-dihydropyridine;2-methyl-3,4-dihydro-2H-pyrrole

2-methyl-2,3-dihydropyridine;2-methyl-3,4-dihydro-2H-pyrrole (PubChem CID 158931193) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is 2-methyl-2,3-dihydropyridine;2-methyl-3,4-dihydro-2H-pyrrole.

Molecular Properties

Compound Name2-methyl-2,3-dihydropyridine;2-methyl-3,4-dihydro-2H-pyrrole
PubChem CID158931193
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC Name2-methyl-2,3-dihydropyridine;2-methyl-3,4-dihydro-2H-pyrrole
SMILESCC1CC=CC=N1.CC1CCC=N1
InChIInChI=1S/C6H9N.C5H9N/c1-6-4-2-3-5-7-6;1-5-3-2-4-6-5/h2-3,5-6H,4H2,1H3;4-5H,2-3H2,1H3
InChIKeyJJBRCHKDQIPLOO-UHFFFAOYSA-N
XLogP2.65
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-Propyl-2,3-dihydropyridine
CID 68521817
(E)-N,N'-dipentylpent-2-ene-1,5-diimine
CID 19025926
N,N'-dipentylpent-2-ene-1,5-diimine
CID 54354710
2-Pentyl-2,3-dihydropyridine
CID 66908176
2-Butyl-2,3-dihydropyridine
CID 67259288
2-Ethyl-2,3-dihydropyridine
CID 67522417
2-Prop-2-enyl-2,3-dihydropyridine
CID 67612030
N-dodeca-6,11-dien-4-ylpropan-1-imine
CID 85941290
5-ethyl-2-[(2Z,4Z)-hexa-2,4-dienyl]-3-methyl-2,3-dihydropyrazine
CID 88866229
N-butan-2-yl-1-(2,3-dihydropyridin-4-yl)-3-methylbut-2-en-1-imine
CID 90841481
3a,7a-dihydro-3H-pyrrolo[3,2-b]pyridine
CID 91174119
4a,5,8,8a-Tetrahydroquinoxaline;ethane
CID 91463393

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2,3-dihydropyridine;2-methyl-3,4-dihydro-2H-pyrrole?
The IUPAC name of 2-methyl-2,3-dihydropyridine;2-methyl-3,4-dihydro-2H-pyrrole (CID 158931193) is 2-methyl-2,3-dihydropyridine;2-methyl-3,4-dihydro-2H-pyrrole.
What is the SMILES notation for 2-methyl-2,3-dihydropyridine;2-methyl-3,4-dihydro-2H-pyrrole?
The canonical SMILES for 2-methyl-2,3-dihydropyridine;2-methyl-3,4-dihydro-2H-pyrrole is CC1CC=CC=N1.CC1CCC=N1.
What is the InChIKey of 2-methyl-2,3-dihydropyridine;2-methyl-3,4-dihydro-2H-pyrrole?
The InChIKey is JJBRCHKDQIPLOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N.C5H9N/c1-6-4-2-3-5-7-6;1-5-3-2-4-6-5/h2-3,5-6H,4H2,1H3;4-5H,2-3H2,1H3.
What are the key properties of 2-methyl-2,3-dihydropyridine;2-methyl-3,4-dihydro-2H-pyrrole?
2-methyl-2,3-dihydropyridine;2-methyl-3,4-dihydro-2H-pyrrole has a molecular weight of 178.28 g/mol, XLogP of 2.65, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2,3-dihydropyridine;2-methyl-3,4-dihydro-2H-pyrrole is sourced from PubChem (CID 158931193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).