(4aR,7aR)-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridin-1-ium

C8H16N+ — CID 7431640

IUPAC(4aR,7aR)-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridin-1-ium
SMILESC1C[NH2+][C@@H]2CCC[C@@H]2C1
InChIInChI=1S/C8H15N/c1-3-7-4-2-6-9-8(7)5-1/h7-9H,1-6H2/p+1/t7-,8-/m1/s1
InChIKeyCJNWCWVQGCSQRA-HTQZYQBOSA-O
MW126.22 g/mol
LogP0.51
Rot. Bonds

About (4aR,7aR)-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridin-1-ium

(4aR,7aR)-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridin-1-ium (PubChem CID 7431640) has the molecular formula C8H16N+ and a molecular weight of 126.22 g/mol. Its IUPAC name is (4aR,7aR)-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridin-1-ium.

Molecular Properties

Compound Name(4aR,7aR)-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridin-1-ium
PubChem CID7431640
Molecular FormulaC8H16N+
Molecular Weight126.22 g/mol
Exact Mass126.13
IUPAC Name(4aR,7aR)-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridin-1-ium
SMILESC1C[NH2+][C@@H]2CCC[C@@H]2C1
InChIInChI=1S/C8H15N/c1-3-7-4-2-6-9-8(7)5-1/h7-9H,1-6H2/p+1/t7-,8-/m1/s1
InChIKeyCJNWCWVQGCSQRA-HTQZYQBOSA-O
XLogP0.51
TPSA16.61 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.22
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Analyze (4aR,7aR)-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridin-1-ium with MolForge

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Launch Full Analysis

Related Compounds

(2R)-2-cyclobutylpyrrolidin-1-ium
CID 7047976
(3R)-1-methyl-3-[(2S)-pyrrolidin-1-ium-2-yl]piperidin-1-ium
CID 7047980
tricyclo[11.3.0.05,9]hexadecane
CID 154595560
(4aS,8S,8aR)-8-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-1-ium
CID 23277963
1,2,3,3a,4,5,6,6a-octahydropentalene;phosphane
CID 174450452
(1R,5R)-bicyclo[3.2.0]heptane
CID 123536914
1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;2,3,3a,4,5,6,7,7a-octahydro-1H-indene;1,2,3,3a,4,5,6,6a-octahydropentalene;cyclobutane;cycloheptane;cyclohexane;cyclooctane;cyclopentane;cyclopropane
CID 158726060
1,2,3,3a,4,5,6,7,8,9,10,10a-dodecahydrocyclopenta[9]annulene
CID 58552309
(3aR,12aR)-1,2,3,3a,4,5,6,7,8,9,10,11,12,12a-tetradecahydrocyclopenta[11]annulene
CID 14112261
(2S)-2-methylpyrrolidin-1-ium
CID 6999701
bis(bicyclo[3.1.0]hexane);trihydrochloride
CID 69185190
1,2,3,3a,4,5,6,6a-octahydropentalene;cyclopentane;ethane
CID 161297906

Frequently Asked Questions

What is the IUPAC name of (4aR,7aR)-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridin-1-ium?
The IUPAC name of (4aR,7aR)-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridin-1-ium (CID 7431640) is (4aR,7aR)-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridin-1-ium.
What is the SMILES notation for (4aR,7aR)-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridin-1-ium?
The canonical SMILES for (4aR,7aR)-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridin-1-ium is C1C[NH2+][C@@H]2CCC[C@@H]2C1.
What is the InChIKey of (4aR,7aR)-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridin-1-ium?
The InChIKey is CJNWCWVQGCSQRA-HTQZYQBOSA-O. The full InChI is InChI=1S/C8H15N/c1-3-7-4-2-6-9-8(7)5-1/h7-9H,1-6H2/p+1/t7-,8-/m1/s1.
What are the key properties of (4aR,7aR)-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridin-1-ium?
(4aR,7aR)-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridin-1-ium has a molecular weight of 126.22 g/mol, XLogP of 0.51, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4aR,7aR)-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridin-1-ium is sourced from PubChem (CID 7431640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).