(3R,4aS,7aS)-3-methyl-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[c]pyridine

C9H17N — CID 59131933

IUPAC(3R,4aS,7aS)-3-methyl-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[c]pyridine
SMILESC[C@@H]1C[C@@H]2CCC[C@@H]2CN1
InChIInChI=1S/C9H17N/c1-7-5-8-3-2-4-9(8)6-10-7/h7-10H,2-6H2,1H3/t7-,8+,9-/m1/s1
InChIKeyORRUHBWNOSPFNU-HRDYMLBCSA-N
MW139.24 g/mol
LogP1.78
Rot. Bonds

About (3R,4aS,7aS)-3-methyl-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[c]pyridine

(3R,4aS,7aS)-3-methyl-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[c]pyridine (PubChem CID 59131933) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is (3R,4aS,7aS)-3-methyl-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[c]pyridine.

Molecular Properties

Compound Name(3R,4aS,7aS)-3-methyl-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[c]pyridine
PubChem CID59131933
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC Name(3R,4aS,7aS)-3-methyl-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[c]pyridine
SMILESC[C@@H]1C[C@@H]2CCC[C@@H]2CN1
InChIInChI=1S/C9H17N/c1-7-5-8-3-2-4-9(8)6-10-7/h7-10H,2-6H2,1H3/t7-,8+,9-/m1/s1
InChIKeyORRUHBWNOSPFNU-HRDYMLBCSA-N
XLogP1.78
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.24
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (3R,4aS,7aS)-3-methyl-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[c]pyridine with MolForge

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Related Compounds

Octahydro-1H-cyclopenta(b)pyridine
CID 98448
2-Cyclopentylpiperidine
CID 4646584
rac-(4aR,7aR)-octahydro-1H-cyclopenta(c)pyridine
CID 86313049
N-Normethylskytanthine
CID 3082772
Octahydro-1H-cyclopenta(c)pyridine
CID 14431671
octahydro-1H-cyclopenta(b)pyridine hydrochloride
CID 2831833
1-methyl-octahydro-1H-cyclopenta(b)pyridin-4-amine
CID 82416483
octahydro-1H-cyclopenta[c]pyridine hydrochloride
CID 131638052
(4aS,7aS)-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridine
CID 1380800
trans-Octahydro-1-pyrindine
CID 1380801
trans-octahydro-1H-1-pyrindine
CID 1380802
4-fluoro-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridine
CID 105428502

Frequently Asked Questions

What is the IUPAC name of (3R,4aS,7aS)-3-methyl-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[c]pyridine?
The IUPAC name of (3R,4aS,7aS)-3-methyl-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[c]pyridine (CID 59131933) is (3R,4aS,7aS)-3-methyl-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[c]pyridine.
What is the SMILES notation for (3R,4aS,7aS)-3-methyl-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[c]pyridine?
The canonical SMILES for (3R,4aS,7aS)-3-methyl-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[c]pyridine is C[C@@H]1C[C@@H]2CCC[C@@H]2CN1.
What is the InChIKey of (3R,4aS,7aS)-3-methyl-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[c]pyridine?
The InChIKey is ORRUHBWNOSPFNU-HRDYMLBCSA-N. The full InChI is InChI=1S/C9H17N/c1-7-5-8-3-2-4-9(8)6-10-7/h7-10H,2-6H2,1H3/t7-,8+,9-/m1/s1.
What are the key properties of (3R,4aS,7aS)-3-methyl-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[c]pyridine?
(3R,4aS,7aS)-3-methyl-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[c]pyridine has a molecular weight of 139.24 g/mol, XLogP of 1.78, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4aS,7aS)-3-methyl-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[c]pyridine is sourced from PubChem (CID 59131933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).