1-heptan-3-ylpyrrolidin-1-ium chloride

C11H24ClN — CID 172792610

IUPAC1-heptan-3-ylpyrrolidin-1-ium chloride
SMILESCCCCC(CC)[NH+]1CCCC1.[Cl-]
InChIInChI=1S/C11H23N.ClH/c1-3-5-8-11(4-2)12-9-6-7-10-12;/h11H,3-10H2,1-2H3;1H
InChIKeyPTTHBLAZRVOCNC-UHFFFAOYSA-N
MW205.77 g/mol
LogP-1.36
Rot. Bonds5

About 1-heptan-3-ylpyrrolidin-1-ium chloride

1-heptan-3-ylpyrrolidin-1-ium chloride (PubChem CID 172792610) has the molecular formula C11H24ClN and a molecular weight of 205.77 g/mol. Its IUPAC name is 1-heptan-3-ylpyrrolidin-1-ium chloride.

Molecular Properties

Compound Name1-heptan-3-ylpyrrolidin-1-ium chloride
PubChem CID172792610
Molecular FormulaC11H24ClN
Molecular Weight205.77 g/mol
Exact Mass205.16
IUPAC Name1-heptan-3-ylpyrrolidin-1-ium chloride
SMILESCCCCC(CC)[NH+]1CCCC1.[Cl-]
InChIInChI=1S/C11H23N.ClH/c1-3-5-8-11(4-2)12-9-6-7-10-12;/h11H,3-10H2,1-2H3;1H
InChIKeyPTTHBLAZRVOCNC-UHFFFAOYSA-N
XLogP-1.36
TPSA4.44 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.77
LogP ≤ 5-1.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Related Compounds

tributyl(ethyl)phosphanium;yttrium
CID 157495061
ethane;heptan-3-ol;yttrium
CID 178141983
tributyl(methyl)phosphanium
CID 2760115
bis(1-methylpyrrolidin-1-ium);pentane;dibromide
CID 68574045
nonane-3,5-diol;scandium
CID 164810293
tributyl-[3-(dimethylamino)propyl]phosphanium chloride
CID 19764961
dibutyl-ethyl-methylphosphanium
CID 58444360
tributyl(methyl)phosphanium iodide
CID 2760114
heptan-3-ylphosphane;yttrium
CID 87745018
tributyl(methyl)phosphanium iodate
CID 158924304
1-ethyl-3-octadecan-3-yl-2-pentadecylimidazolidin-3-ium chloride
CID 67791513
bromo-bis(2-ethylhexyl)gallane
CID 178181676

Frequently Asked Questions

What is the IUPAC name of 1-heptan-3-ylpyrrolidin-1-ium chloride?
The IUPAC name of 1-heptan-3-ylpyrrolidin-1-ium chloride (CID 172792610) is 1-heptan-3-ylpyrrolidin-1-ium chloride.
What is the SMILES notation for 1-heptan-3-ylpyrrolidin-1-ium chloride?
The canonical SMILES for 1-heptan-3-ylpyrrolidin-1-ium chloride is CCCCC(CC)[NH+]1CCCC1.[Cl-].
What is the InChIKey of 1-heptan-3-ylpyrrolidin-1-ium chloride?
The InChIKey is PTTHBLAZRVOCNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N.ClH/c1-3-5-8-11(4-2)12-9-6-7-10-12;/h11H,3-10H2,1-2H3;1H.
What are the key properties of 1-heptan-3-ylpyrrolidin-1-ium chloride?
1-heptan-3-ylpyrrolidin-1-ium chloride has a molecular weight of 205.77 g/mol, XLogP of -1.36, 5 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-heptan-3-ylpyrrolidin-1-ium chloride is sourced from PubChem (CID 172792610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).