2-(2,3-dihydropyrrol-1-yl)-1,2,3,6-tetrahydropyridine

C9H14N2 — CID 141207265

IUPAC2-(2,3-dihydropyrrol-1-yl)-1,2,3,6-tetrahydropyridine
SMILESC1=CN(C2CC=CCN2)CC1
InChIInChI=1S/C9H14N2/c1-2-6-10-9(5-1)11-7-3-4-8-11/h1-3,7,9-10H,4-6,8H2
InChIKeyBUXATVNMNYFKHR-UHFFFAOYSA-N
MW150.23 g/mol
LogP1.08
Rot. Bonds1

About 2-(2,3-dihydropyrrol-1-yl)-1,2,3,6-tetrahydropyridine

2-(2,3-dihydropyrrol-1-yl)-1,2,3,6-tetrahydropyridine (PubChem CID 141207265) has the molecular formula C9H14N2 and a molecular weight of 150.23 g/mol. Its IUPAC name is 2-(2,3-dihydropyrrol-1-yl)-1,2,3,6-tetrahydropyridine.

Molecular Properties

Compound Name2-(2,3-dihydropyrrol-1-yl)-1,2,3,6-tetrahydropyridine
PubChem CID141207265
Molecular FormulaC9H14N2
Molecular Weight150.23 g/mol
Exact Mass150.12
IUPAC Name2-(2,3-dihydropyrrol-1-yl)-1,2,3,6-tetrahydropyridine
SMILESC1=CN(C2CC=CCN2)CC1
InChIInChI=1S/C9H14N2/c1-2-6-10-9(5-1)11-7-3-4-8-11/h1-3,7,9-10H,4-6,8H2
InChIKeyBUXATVNMNYFKHR-UHFFFAOYSA-N
XLogP1.08
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.23
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-pyrazol-1-yl-1,2,3,6-tetrahydropyridine
CID 5252317
4-(2,3-dihydropyrrol-1-yl)-3-methyl-4H-1,2-oxazol-5-one
CID 19436655
2-chloro-1,3,3a,4,7,7a-hexahydroisoindole
CID 72622968
(1S,6S)-7,9-diazabicyclo[4.2.2]dec-3-ene
CID 123665162
2-methyl-1,3,4,8,9,9a-hexahydropyrido[1,2-a]pyrazine
CID 162433340
1-(4-pyrrolidin-1-yloxan-3-yl)-2,3-dihydropyrrole
CID 91133776
1,5,8,8a-tetrahydroindolizine
CID 142632613
3,3a,4,7,8,8a-hexahydro-1H-cyclohepta[c]pyrrol-2-amine
CID 121261261
1-(1,2,3,6-tetrahydropyridin-2-yl)ethanone
CID 23523876
[(2R,3S)-2-methyl-2,3,4,7-tetrahydro-1H-azepin-3-yl]-piperidin-1-ylmethanone
CID 92583172
1,3,3a,4,7,7a-hexahydroisoindole-2-carbonitrile
CID 130653716
(8aS)-1,5,6,7,8,8a-hexahydroimidazo[1,2-a]pyrazine
CID 98053019

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydropyrrol-1-yl)-1,2,3,6-tetrahydropyridine?
The IUPAC name of 2-(2,3-dihydropyrrol-1-yl)-1,2,3,6-tetrahydropyridine (CID 141207265) is 2-(2,3-dihydropyrrol-1-yl)-1,2,3,6-tetrahydropyridine.
What is the SMILES notation for 2-(2,3-dihydropyrrol-1-yl)-1,2,3,6-tetrahydropyridine?
The canonical SMILES for 2-(2,3-dihydropyrrol-1-yl)-1,2,3,6-tetrahydropyridine is C1=CN(C2CC=CCN2)CC1.
What is the InChIKey of 2-(2,3-dihydropyrrol-1-yl)-1,2,3,6-tetrahydropyridine?
The InChIKey is BUXATVNMNYFKHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2/c1-2-6-10-9(5-1)11-7-3-4-8-11/h1-3,7,9-10H,4-6,8H2.
What are the key properties of 2-(2,3-dihydropyrrol-1-yl)-1,2,3,6-tetrahydropyridine?
2-(2,3-dihydropyrrol-1-yl)-1,2,3,6-tetrahydropyridine has a molecular weight of 150.23 g/mol, XLogP of 1.08, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydropyrrol-1-yl)-1,2,3,6-tetrahydropyridine is sourced from PubChem (CID 141207265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).