4-(2,3-dihydro-1H-pyrrol-2-yl)-2-methyl-2,3,4,5-tetrahydropyridine

C10H16N2 — CID 121358163

IUPAC4-(2,3-dihydro-1H-pyrrol-2-yl)-2-methyl-2,3,4,5-tetrahydropyridine
SMILESCC1CC(C2CC=CN2)CC=N1
InChIInChI=1S/C10H16N2/c1-8-7-9(4-6-11-8)10-3-2-5-12-10/h2,5-6,8-10,12H,3-4,7H2,1H3
InChIKeyKLEGUSXJBSAHCF-UHFFFAOYSA-N
MW164.25 g/mol
LogP1.73
Rot. Bonds1

About 4-(2,3-dihydro-1H-pyrrol-2-yl)-2-methyl-2,3,4,5-tetrahydropyridine

4-(2,3-dihydro-1H-pyrrol-2-yl)-2-methyl-2,3,4,5-tetrahydropyridine (PubChem CID 121358163) has the molecular formula C10H16N2 and a molecular weight of 164.25 g/mol. Its IUPAC name is 4-(2,3-dihydro-1H-pyrrol-2-yl)-2-methyl-2,3,4,5-tetrahydropyridine.

Molecular Properties

Compound Name4-(2,3-dihydro-1H-pyrrol-2-yl)-2-methyl-2,3,4,5-tetrahydropyridine
PubChem CID121358163
Molecular FormulaC10H16N2
Molecular Weight164.25 g/mol
Exact Mass164.13
IUPAC Name4-(2,3-dihydro-1H-pyrrol-2-yl)-2-methyl-2,3,4,5-tetrahydropyridine
SMILESCC1CC(C2CC=CN2)CC=N1
InChIInChI=1S/C10H16N2/c1-8-7-9(4-6-11-8)10-3-2-5-12-10/h2,5-6,8-10,12H,3-4,7H2,1H3
InChIKeyKLEGUSXJBSAHCF-UHFFFAOYSA-N
XLogP1.73
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydro-1H-pyrrol-2-yl)-2-methyl-2,3,4,5-tetrahydropyridine?
The IUPAC name of 4-(2,3-dihydro-1H-pyrrol-2-yl)-2-methyl-2,3,4,5-tetrahydropyridine (CID 121358163) is 4-(2,3-dihydro-1H-pyrrol-2-yl)-2-methyl-2,3,4,5-tetrahydropyridine.
What is the SMILES notation for 4-(2,3-dihydro-1H-pyrrol-2-yl)-2-methyl-2,3,4,5-tetrahydropyridine?
The canonical SMILES for 4-(2,3-dihydro-1H-pyrrol-2-yl)-2-methyl-2,3,4,5-tetrahydropyridine is CC1CC(C2CC=CN2)CC=N1.
What is the InChIKey of 4-(2,3-dihydro-1H-pyrrol-2-yl)-2-methyl-2,3,4,5-tetrahydropyridine?
The InChIKey is KLEGUSXJBSAHCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2/c1-8-7-9(4-6-11-8)10-3-2-5-12-10/h2,5-6,8-10,12H,3-4,7H2,1H3.
What are the key properties of 4-(2,3-dihydro-1H-pyrrol-2-yl)-2-methyl-2,3,4,5-tetrahydropyridine?
4-(2,3-dihydro-1H-pyrrol-2-yl)-2-methyl-2,3,4,5-tetrahydropyridine has a molecular weight of 164.25 g/mol, XLogP of 1.73, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydro-1H-pyrrol-2-yl)-2-methyl-2,3,4,5-tetrahydropyridine is sourced from PubChem (CID 121358163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).