4-(2,3-dimethyl-2,3-dihydro-1H-pyrrol-4-yl)-1,2,3,6-tetrahydropyridine

C11H18N2 — CID 58891497

IUPAC4-(2,3-dimethyl-2,3-dihydro-1H-pyrrol-4-yl)-1,2,3,6-tetrahydropyridine
SMILESCC1NC=C(C2=CCNCC2)C1C
InChIInChI=1S/C11H18N2/c1-8-9(2)13-7-11(8)10-3-5-12-6-4-10/h3,7-9,12-13H,4-6H2,1-2H3
InChIKeyCMQITNZETVPQPA-UHFFFAOYSA-N
MW178.28 g/mol
LogP1.42
Rot. Bonds1

About 4-(2,3-dimethyl-2,3-dihydro-1H-pyrrol-4-yl)-1,2,3,6-tetrahydropyridine

4-(2,3-dimethyl-2,3-dihydro-1H-pyrrol-4-yl)-1,2,3,6-tetrahydropyridine (PubChem CID 58891497) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is 4-(2,3-dimethyl-2,3-dihydro-1H-pyrrol-4-yl)-1,2,3,6-tetrahydropyridine.

Molecular Properties

Compound Name4-(2,3-dimethyl-2,3-dihydro-1H-pyrrol-4-yl)-1,2,3,6-tetrahydropyridine
PubChem CID58891497
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC Name4-(2,3-dimethyl-2,3-dihydro-1H-pyrrol-4-yl)-1,2,3,6-tetrahydropyridine
SMILESCC1NC=C(C2=CCNCC2)C1C
InChIInChI=1S/C11H18N2/c1-8-9(2)13-7-11(8)10-3-5-12-6-4-10/h3,7-9,12-13H,4-6H2,1-2H3
InChIKeyCMQITNZETVPQPA-UHFFFAOYSA-N
XLogP1.42
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dimethyl-2,3-dihydro-1H-pyrrol-4-yl)-1,2,3,6-tetrahydropyridine?
The IUPAC name of 4-(2,3-dimethyl-2,3-dihydro-1H-pyrrol-4-yl)-1,2,3,6-tetrahydropyridine (CID 58891497) is 4-(2,3-dimethyl-2,3-dihydro-1H-pyrrol-4-yl)-1,2,3,6-tetrahydropyridine.
What is the SMILES notation for 4-(2,3-dimethyl-2,3-dihydro-1H-pyrrol-4-yl)-1,2,3,6-tetrahydropyridine?
The canonical SMILES for 4-(2,3-dimethyl-2,3-dihydro-1H-pyrrol-4-yl)-1,2,3,6-tetrahydropyridine is CC1NC=C(C2=CCNCC2)C1C.
What is the InChIKey of 4-(2,3-dimethyl-2,3-dihydro-1H-pyrrol-4-yl)-1,2,3,6-tetrahydropyridine?
The InChIKey is CMQITNZETVPQPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2/c1-8-9(2)13-7-11(8)10-3-5-12-6-4-10/h3,7-9,12-13H,4-6H2,1-2H3.
What are the key properties of 4-(2,3-dimethyl-2,3-dihydro-1H-pyrrol-4-yl)-1,2,3,6-tetrahydropyridine?
4-(2,3-dimethyl-2,3-dihydro-1H-pyrrol-4-yl)-1,2,3,6-tetrahydropyridine has a molecular weight of 178.28 g/mol, XLogP of 1.42, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dimethyl-2,3-dihydro-1H-pyrrol-4-yl)-1,2,3,6-tetrahydropyridine is sourced from PubChem (CID 58891497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).