1-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidin-1-ium chloride

C14H20ClN — CID 139123998

IUPAC1-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidin-1-ium chloride
SMILES[Cl-].c1ccc2c(c1)CCC[C@H]2[NH+]1CCCC1
InChIInChI=1S/C14H19N.ClH/c1-2-8-13-12(6-1)7-5-9-14(13)15-10-3-4-11-15;/h1-2,6,8,14H,3-5,7,9-11H2;1H/t14-;/m1./s1
InChIKeyDXTSWSTUVJGDKR-PFEQFJNWSA-N
MW237.77 g/mol
LogP-1.25
Rot. Bonds1

About 1-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidin-1-ium chloride

1-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidin-1-ium chloride (PubChem CID 139123998) has the molecular formula C14H20ClN and a molecular weight of 237.77 g/mol. Its IUPAC name is 1-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidin-1-ium chloride.

Molecular Properties

Compound Name1-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidin-1-ium chloride
PubChem CID139123998
Molecular FormulaC14H20ClN
Molecular Weight237.77 g/mol
Exact Mass237.13
IUPAC Name1-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidin-1-ium chloride
SMILES[Cl-].c1ccc2c(c1)CCC[C@H]2[NH+]1CCCC1
InChIInChI=1S/C14H19N.ClH/c1-2-8-13-12(6-1)7-5-9-14(13)15-10-3-4-11-15;/h1-2,6,8,14H,3-5,7,9-11H2;1H/t14-;/m1./s1
InChIKeyDXTSWSTUVJGDKR-PFEQFJNWSA-N
XLogP-1.25
TPSA4.44 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.77
LogP ≤ 5-1.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Related Compounds

(4R)-4-(azepan-1-ium-1-yl)-1,2,3,4-tetrahydroisoquinolin-2-ium
CID 9168726
1,2,3,4-tetrahydronaphthalen-1-ol
CID 10723
CID 59863888
CID 59863888
1-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]-1,2,3,4-tetrahydronaphthalene
CID 15742901
(5S)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 40572494
(5R)-5,6,7,8,9,10-hexahydrobenzo[8]annulen-5-ol
CID 130614926
ethane;[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium
CID 144973609
5,6,7,8,9,10-hexahydrobenzo[8]annulene-5,6-diol
CID 121014206
(5R,6R)-5,6-dibromo-6,7,8,9-tetrahydro-5H-benzo[7]annulene
CID 10881240
ethane;2-(1,2,3,4-tetrahydronaphthalen-1-yl)-4,5-dihydro-1H-imidazole
CID 91000724
1-[(5S)-5,6-dihydrobenzo[b][1]benzothiepin-5-yl]piperidin-1-ium
CID 6947800
N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]formamide
CID 45098245

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidin-1-ium chloride?
The IUPAC name of 1-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidin-1-ium chloride (CID 139123998) is 1-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidin-1-ium chloride.
What is the SMILES notation for 1-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidin-1-ium chloride?
The canonical SMILES for 1-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidin-1-ium chloride is [Cl-].c1ccc2c(c1)CCC[C@H]2[NH+]1CCCC1.
What is the InChIKey of 1-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidin-1-ium chloride?
The InChIKey is DXTSWSTUVJGDKR-PFEQFJNWSA-N. The full InChI is InChI=1S/C14H19N.ClH/c1-2-8-13-12(6-1)7-5-9-14(13)15-10-3-4-11-15;/h1-2,6,8,14H,3-5,7,9-11H2;1H/t14-;/m1./s1.
What are the key properties of 1-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidin-1-ium chloride?
1-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidin-1-ium chloride has a molecular weight of 237.77 g/mol, XLogP of -1.25, 1 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidin-1-ium chloride is sourced from PubChem (CID 139123998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).