1-(cyclohexa-1,5-dien-1-ylmethyl)-4-pyrrolidin-1-yl-3,6-dihydro-2H-pyridine

C16H24N2 — CID 162754948

IUPAC1-(cyclohexa-1,5-dien-1-ylmethyl)-4-pyrrolidin-1-yl-3,6-dihydro-2H-pyridine
SMILESC1=CC(CN2CC=C(N3CCCC3)CC2)=CCC1
InChIInChI=1S/C16H24N2/c1-2-6-15(7-3-1)14-17-12-8-16(9-13-17)18-10-4-5-11-18/h2,6-8H,1,3-5,9-14H2
InChIKeyJGWAJKHBFZAASP-UHFFFAOYSA-N
MW244.38 g/mol
LogP2.95
Rot. Bonds3

About 1-(cyclohexa-1,5-dien-1-ylmethyl)-4-pyrrolidin-1-yl-3,6-dihydro-2H-pyridine

1-(cyclohexa-1,5-dien-1-ylmethyl)-4-pyrrolidin-1-yl-3,6-dihydro-2H-pyridine (PubChem CID 162754948) has the molecular formula C16H24N2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 1-(cyclohexa-1,5-dien-1-ylmethyl)-4-pyrrolidin-1-yl-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name1-(cyclohexa-1,5-dien-1-ylmethyl)-4-pyrrolidin-1-yl-3,6-dihydro-2H-pyridine
PubChem CID162754948
Molecular FormulaC16H24N2
Molecular Weight244.38 g/mol
Exact Mass244.19
IUPAC Name1-(cyclohexa-1,5-dien-1-ylmethyl)-4-pyrrolidin-1-yl-3,6-dihydro-2H-pyridine
SMILESC1=CC(CN2CC=C(N3CCCC3)CC2)=CCC1
InChIInChI=1S/C16H24N2/c1-2-6-15(7-3-1)14-17-12-8-16(9-13-17)18-10-4-5-11-18/h2,6-8H,1,3-5,9-14H2
InChIKeyJGWAJKHBFZAASP-UHFFFAOYSA-N
XLogP2.95
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexa-1,5-dien-1-ylmethyl)-4-pyrrolidin-1-yl-3,6-dihydro-2H-pyridine?
The IUPAC name of 1-(cyclohexa-1,5-dien-1-ylmethyl)-4-pyrrolidin-1-yl-3,6-dihydro-2H-pyridine (CID 162754948) is 1-(cyclohexa-1,5-dien-1-ylmethyl)-4-pyrrolidin-1-yl-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 1-(cyclohexa-1,5-dien-1-ylmethyl)-4-pyrrolidin-1-yl-3,6-dihydro-2H-pyridine?
The canonical SMILES for 1-(cyclohexa-1,5-dien-1-ylmethyl)-4-pyrrolidin-1-yl-3,6-dihydro-2H-pyridine is C1=CC(CN2CC=C(N3CCCC3)CC2)=CCC1.
What is the InChIKey of 1-(cyclohexa-1,5-dien-1-ylmethyl)-4-pyrrolidin-1-yl-3,6-dihydro-2H-pyridine?
The InChIKey is JGWAJKHBFZAASP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2/c1-2-6-15(7-3-1)14-17-12-8-16(9-13-17)18-10-4-5-11-18/h2,6-8H,1,3-5,9-14H2.
What are the key properties of 1-(cyclohexa-1,5-dien-1-ylmethyl)-4-pyrrolidin-1-yl-3,6-dihydro-2H-pyridine?
1-(cyclohexa-1,5-dien-1-ylmethyl)-4-pyrrolidin-1-yl-3,6-dihydro-2H-pyridine has a molecular weight of 244.38 g/mol, XLogP of 2.95, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexa-1,5-dien-1-ylmethyl)-4-pyrrolidin-1-yl-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 162754948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).