4-pyrrolidin-1-yl-1,2,3,6-tetrahydropyridine

C9H16N2 — CID 54501895

IUPAC4-pyrrolidin-1-yl-1,2,3,6-tetrahydropyridine
SMILESC1=C(N2CCCC2)CCNC1
InChIInChI=1S/C9H16N2/c1-2-8-11(7-1)9-3-5-10-6-4-9/h3,10H,1-2,4-8H2
InChIKeyYCZYMNFAHLOZHR-UHFFFAOYSA-N
MW152.24 g/mol
LogP0.96
Rot. Bonds1

About 4-pyrrolidin-1-yl-1,2,3,6-tetrahydropyridine

4-pyrrolidin-1-yl-1,2,3,6-tetrahydropyridine (PubChem CID 54501895) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is 4-pyrrolidin-1-yl-1,2,3,6-tetrahydropyridine.

Molecular Properties

Compound Name4-pyrrolidin-1-yl-1,2,3,6-tetrahydropyridine
PubChem CID54501895
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC Name4-pyrrolidin-1-yl-1,2,3,6-tetrahydropyridine
SMILESC1=C(N2CCCC2)CCNC1
InChIInChI=1S/C9H16N2/c1-2-8-11(7-1)9-3-5-10-6-4-9/h3,10H,1-2,4-8H2
InChIKeyYCZYMNFAHLOZHR-UHFFFAOYSA-N
XLogP0.96
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-pyrrolidin-1-yl-1,2,3,6-tetrahydropyridine?
The IUPAC name of 4-pyrrolidin-1-yl-1,2,3,6-tetrahydropyridine (CID 54501895) is 4-pyrrolidin-1-yl-1,2,3,6-tetrahydropyridine.
What is the SMILES notation for 4-pyrrolidin-1-yl-1,2,3,6-tetrahydropyridine?
The canonical SMILES for 4-pyrrolidin-1-yl-1,2,3,6-tetrahydropyridine is C1=C(N2CCCC2)CCNC1.
What is the InChIKey of 4-pyrrolidin-1-yl-1,2,3,6-tetrahydropyridine?
The InChIKey is YCZYMNFAHLOZHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2/c1-2-8-11(7-1)9-3-5-10-6-4-9/h3,10H,1-2,4-8H2.
What are the key properties of 4-pyrrolidin-1-yl-1,2,3,6-tetrahydropyridine?
4-pyrrolidin-1-yl-1,2,3,6-tetrahydropyridine has a molecular weight of 152.24 g/mol, XLogP of 0.96, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyrrolidin-1-yl-1,2,3,6-tetrahydropyridine is sourced from PubChem (CID 54501895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).