(3aR,7R,7aS,8aR)-7-methyl-1,2,3,3a,5,6,7,7a,8,8a-decahydrocyclopenta[b]pyrrolizine

C11H19N — CID 99943828

IUPAC(3aR,7R,7aS,8aR)-7-methyl-1,2,3,3a,5,6,7,7a,8,8a-decahydrocyclopenta[b]pyrrolizine
SMILESC[C@@H]1CCN2[C@@H]3CCC[C@@H]3C[C@@H]12
InChIInChI=1S/C11H19N/c1-8-5-6-12-10-4-2-3-9(10)7-11(8)12/h8-11H,2-7H2,1H3/t8-,9-,10-,11+/m1/s1
InChIKeyPYDPXKNPCBQXMM-DBIOUOCHSA-N
MW165.28 g/mol
LogP2.27
Rot. Bonds

About (3aR,7R,7aS,8aR)-7-methyl-1,2,3,3a,5,6,7,7a,8,8a-decahydrocyclopenta[b]pyrrolizine

(3aR,7R,7aS,8aR)-7-methyl-1,2,3,3a,5,6,7,7a,8,8a-decahydrocyclopenta[b]pyrrolizine (PubChem CID 99943828) has the molecular formula C11H19N and a molecular weight of 165.28 g/mol. Its IUPAC name is (3aR,7R,7aS,8aR)-7-methyl-1,2,3,3a,5,6,7,7a,8,8a-decahydrocyclopenta[b]pyrrolizine.

Molecular Properties

Compound Name(3aR,7R,7aS,8aR)-7-methyl-1,2,3,3a,5,6,7,7a,8,8a-decahydrocyclopenta[b]pyrrolizine
PubChem CID99943828
Molecular FormulaC11H19N
Molecular Weight165.28 g/mol
Exact Mass165.15
IUPAC Name(3aR,7R,7aS,8aR)-7-methyl-1,2,3,3a,5,6,7,7a,8,8a-decahydrocyclopenta[b]pyrrolizine
SMILESC[C@@H]1CCN2[C@@H]3CCC[C@@H]3C[C@@H]12
InChIInChI=1S/C11H19N/c1-8-5-6-12-10-4-2-3-9(10)7-11(8)12/h8-11H,2-7H2,1H3/t8-,9-,10-,11+/m1/s1
InChIKeyPYDPXKNPCBQXMM-DBIOUOCHSA-N
XLogP2.27
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.28
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (3aR,7R,7aS,8aR)-7-methyl-1,2,3,3a,5,6,7,7a,8,8a-decahydrocyclopenta[b]pyrrolizine with MolForge

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Related Compounds

10-methyl-2-azatricyclo[5.3.1.02,6]undecane
CID 71430606
7-methyl-6-azatricyclo[6.2.1.02,6]undecane
CID 45098495
2,3,3a,4,4a,5,6,7,8,8a-decahydro-1H-pyrrolo[1,2-a]indole
CID 57050908
1-(3-methylpiperidin-4-yl)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine
CID 65320963
4-methyl-1-(2-methylcyclopentyl)piperidin-3-amine
CID 65044935
5,6-dimethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene
CID 14415240
2-cyclopentyl-5-methyl-3-(2-methylcyclopentyl)imidazolidin-4-one
CID 83257817
1-[(2R)-2-methylcyclopentyl]piperidine
CID 59715874
2-(2-cyclopentylpyrrolidin-1-yl)-3,5-dimethylcyclohexan-1-ol
CID 64750705
(1S,6R)-2-propyl-2-azabicyclo[4.1.0]heptane
CID 130645060
(3aS,5R,7aR,8aR)-5-methyl-1,2,3,3a,5,6,7,7a,8,8a-decahydrocyclopenta[b]pyrrolizine
CID 129452746
2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)cyclooctan-1-ol
CID 82750366

Frequently Asked Questions

What is the IUPAC name of (3aR,7R,7aS,8aR)-7-methyl-1,2,3,3a,5,6,7,7a,8,8a-decahydrocyclopenta[b]pyrrolizine?
The IUPAC name of (3aR,7R,7aS,8aR)-7-methyl-1,2,3,3a,5,6,7,7a,8,8a-decahydrocyclopenta[b]pyrrolizine (CID 99943828) is (3aR,7R,7aS,8aR)-7-methyl-1,2,3,3a,5,6,7,7a,8,8a-decahydrocyclopenta[b]pyrrolizine.
What is the SMILES notation for (3aR,7R,7aS,8aR)-7-methyl-1,2,3,3a,5,6,7,7a,8,8a-decahydrocyclopenta[b]pyrrolizine?
The canonical SMILES for (3aR,7R,7aS,8aR)-7-methyl-1,2,3,3a,5,6,7,7a,8,8a-decahydrocyclopenta[b]pyrrolizine is C[C@@H]1CCN2[C@@H]3CCC[C@@H]3C[C@@H]12.
What is the InChIKey of (3aR,7R,7aS,8aR)-7-methyl-1,2,3,3a,5,6,7,7a,8,8a-decahydrocyclopenta[b]pyrrolizine?
The InChIKey is PYDPXKNPCBQXMM-DBIOUOCHSA-N. The full InChI is InChI=1S/C11H19N/c1-8-5-6-12-10-4-2-3-9(10)7-11(8)12/h8-11H,2-7H2,1H3/t8-,9-,10-,11+/m1/s1.
What are the key properties of (3aR,7R,7aS,8aR)-7-methyl-1,2,3,3a,5,6,7,7a,8,8a-decahydrocyclopenta[b]pyrrolizine?
(3aR,7R,7aS,8aR)-7-methyl-1,2,3,3a,5,6,7,7a,8,8a-decahydrocyclopenta[b]pyrrolizine has a molecular weight of 165.28 g/mol, XLogP of 2.27, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,7R,7aS,8aR)-7-methyl-1,2,3,3a,5,6,7,7a,8,8a-decahydrocyclopenta[b]pyrrolizine is sourced from PubChem (CID 99943828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).