[(3aS,9aR,9bS)-1,3,3a,4,6,7,8,9,9a,9b-decahydropyrrolo[3,4-a]indolizin-2-yl]-[1-(2-methoxyethyl)cyclopentyl]methanone

C19H32N2O2 — CID 97226421

IUPAC[(3aS,9aR,9bS)-1,3,3a,4,6,7,8,9,9a,9b-decahydropyrrolo[3,4-a]indolizin-2-yl]-[1-(2-methoxyethyl)cyclopentyl]methanone
SMILESCOCCC1(C(=O)N2C[C@@H]3CN4CCCC[C@@H]4[C@@H]3C2)CCCC1
InChIInChI=1S/C19H32N2O2/c1-23-11-9-19(7-3-4-8-19)18(22)21-13-15-12-20-10-5-2-6-17(20)16(15)14-21/h15-17H,2-14H2,1H3/t15-,16+,17+/m0/s1
InChIKeyYOTYHEPVVUGWKA-GVDBMIGSSA-N
MW320.48 g/mol
LogP2.53
Rot. Bonds4

About [(3aS,9aR,9bS)-1,3,3a,4,6,7,8,9,9a,9b-decahydropyrrolo[3,4-a]indolizin-2-yl]-[1-(2-methoxyethyl)cyclopentyl]methanone

[(3aS,9aR,9bS)-1,3,3a,4,6,7,8,9,9a,9b-decahydropyrrolo[3,4-a]indolizin-2-yl]-[1-(2-methoxyethyl)cyclopentyl]methanone (PubChem CID 97226421) has the molecular formula C19H32N2O2 and a molecular weight of 320.48 g/mol. Its IUPAC name is [(3aS,9aR,9bS)-1,3,3a,4,6,7,8,9,9a,9b-decahydropyrrolo[3,4-a]indolizin-2-yl]-[1-(2-methoxyethyl)cyclopentyl]methanone.

Molecular Properties

Compound Name[(3aS,9aR,9bS)-1,3,3a,4,6,7,8,9,9a,9b-decahydropyrrolo[3,4-a]indolizin-2-yl]-[1-(2-methoxyethyl)cyclopentyl]methanone
PubChem CID97226421
Molecular FormulaC19H32N2O2
Molecular Weight320.48 g/mol
Exact Mass320.25
IUPAC Name[(3aS,9aR,9bS)-1,3,3a,4,6,7,8,9,9a,9b-decahydropyrrolo[3,4-a]indolizin-2-yl]-[1-(2-methoxyethyl)cyclopentyl]methanone
SMILESCOCCC1(C(=O)N2C[C@@H]3CN4CCCC[C@@H]4[C@@H]3C2)CCCC1
InChIInChI=1S/C19H32N2O2/c1-23-11-9-19(7-3-4-8-19)18(22)21-13-15-12-20-10-5-2-6-17(20)16(15)14-21/h15-17H,2-14H2,1H3/t15-,16+,17+/m0/s1
InChIKeyYOTYHEPVVUGWKA-GVDBMIGSSA-N
XLogP2.53
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.48
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [(3aS,9aR,9bS)-1,3,3a,4,6,7,8,9,9a,9b-decahydropyrrolo[3,4-a]indolizin-2-yl]-[1-(2-methoxyethyl)cyclopentyl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(3aS,9aR,9bS)-1,3,3a,4,6,7,8,9,9a,9b-decahydropyrrolo[3,4-a]indolizin-2-yl]-[1-(2-methoxyethyl)cyclopentyl]methanone?
The IUPAC name of [(3aS,9aR,9bS)-1,3,3a,4,6,7,8,9,9a,9b-decahydropyrrolo[3,4-a]indolizin-2-yl]-[1-(2-methoxyethyl)cyclopentyl]methanone (CID 97226421) is [(3aS,9aR,9bS)-1,3,3a,4,6,7,8,9,9a,9b-decahydropyrrolo[3,4-a]indolizin-2-yl]-[1-(2-methoxyethyl)cyclopentyl]methanone.
What is the SMILES notation for [(3aS,9aR,9bS)-1,3,3a,4,6,7,8,9,9a,9b-decahydropyrrolo[3,4-a]indolizin-2-yl]-[1-(2-methoxyethyl)cyclopentyl]methanone?
The canonical SMILES for [(3aS,9aR,9bS)-1,3,3a,4,6,7,8,9,9a,9b-decahydropyrrolo[3,4-a]indolizin-2-yl]-[1-(2-methoxyethyl)cyclopentyl]methanone is COCCC1(C(=O)N2C[C@@H]3CN4CCCC[C@@H]4[C@@H]3C2)CCCC1.
What is the InChIKey of [(3aS,9aR,9bS)-1,3,3a,4,6,7,8,9,9a,9b-decahydropyrrolo[3,4-a]indolizin-2-yl]-[1-(2-methoxyethyl)cyclopentyl]methanone?
The InChIKey is YOTYHEPVVUGWKA-GVDBMIGSSA-N. The full InChI is InChI=1S/C19H32N2O2/c1-23-11-9-19(7-3-4-8-19)18(22)21-13-15-12-20-10-5-2-6-17(20)16(15)14-21/h15-17H,2-14H2,1H3/t15-,16+,17+/m0/s1.
What are the key properties of [(3aS,9aR,9bS)-1,3,3a,4,6,7,8,9,9a,9b-decahydropyrrolo[3,4-a]indolizin-2-yl]-[1-(2-methoxyethyl)cyclopentyl]methanone?
[(3aS,9aR,9bS)-1,3,3a,4,6,7,8,9,9a,9b-decahydropyrrolo[3,4-a]indolizin-2-yl]-[1-(2-methoxyethyl)cyclopentyl]methanone has a molecular weight of 320.48 g/mol, XLogP of 2.53, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3aS,9aR,9bS)-1,3,3a,4,6,7,8,9,9a,9b-decahydropyrrolo[3,4-a]indolizin-2-yl]-[1-(2-methoxyethyl)cyclopentyl]methanone is sourced from PubChem (CID 97226421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).