(3aS,9aR,9bR)-N-[(1R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-1,3,3a,4,6,7,8,9,9a,9b-decahydropyrrolo[3,4-a]indolizine-2-carboxamide

C19H32N4O — CID 98799340

IUPAC(3aS,9aR,9bR)-N-[(1R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-1,3,3a,4,6,7,8,9,9a,9b-decahydropyrrolo[3,4-a]indolizine-2-carboxamide
SMILESO=C(N[C@@H]1CCN2CCCC[C@H]12)N1C[C@@H]2CN3CCCC[C@@H]3[C@H]2C1
InChIInChI=1S/C19H32N4O/c24-19(20-16-7-10-21-8-3-2-6-18(16)21)23-12-14-11-22-9-4-1-5-17(22)15(14)13-23/h14-18H,1-13H2,(H,20,24)/t14-,15-,16+,17+,18+/m0/s1
InChIKeyYTZQMZRBNZMZOW-QXDIGNSFSA-N
MW332.49 g/mol
LogP1.74
Rot. Bonds1

About (3aS,9aR,9bR)-N-[(1R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-1,3,3a,4,6,7,8,9,9a,9b-decahydropyrrolo[3,4-a]indolizine-2-carboxamide

(3aS,9aR,9bR)-N-[(1R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-1,3,3a,4,6,7,8,9,9a,9b-decahydropyrrolo[3,4-a]indolizine-2-carboxamide (PubChem CID 98799340) has the molecular formula C19H32N4O and a molecular weight of 332.49 g/mol. Its IUPAC name is (3aS,9aR,9bR)-N-[(1R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-1,3,3a,4,6,7,8,9,9a,9b-decahydropyrrolo[3,4-a]indolizine-2-carboxamide.

Molecular Properties

Compound Name(3aS,9aR,9bR)-N-[(1R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-1,3,3a,4,6,7,8,9,9a,9b-decahydropyrrolo[3,4-a]indolizine-2-carboxamide
PubChem CID98799340
Molecular FormulaC19H32N4O
Molecular Weight332.49 g/mol
Exact Mass332.26
IUPAC Name(3aS,9aR,9bR)-N-[(1R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-1,3,3a,4,6,7,8,9,9a,9b-decahydropyrrolo[3,4-a]indolizine-2-carboxamide
SMILESO=C(N[C@@H]1CCN2CCCC[C@H]12)N1C[C@@H]2CN3CCCC[C@@H]3[C@H]2C1
InChIInChI=1S/C19H32N4O/c24-19(20-16-7-10-21-8-3-2-6-18(16)21)23-12-14-11-22-9-4-1-5-17(22)15(14)13-23/h14-18H,1-13H2,(H,20,24)/t14-,15-,16+,17+,18+/m0/s1
InChIKeyYTZQMZRBNZMZOW-QXDIGNSFSA-N
XLogP1.74
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.49
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3aS,9aR,9bR)-N-[(1R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-1,3,3a,4,6,7,8,9,9a,9b-decahydropyrrolo[3,4-a]indolizine-2-carboxamide with MolForge

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Related Compounds

N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)pyrrolidine-1-carboxamide
CID 115584130
N-[(1R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-4-methylsulfonylpiperazine-1-carboxamide
CID 94125453
1-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylcarbamoyl)-4-methylpyrrolidine-3-carboxylic acid
CID 63719906
N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)acetamide
CID 60770068
(3aS,9aS,9bS)-N-(4-methoxyphenyl)-1,3,3a,4,6,7,8,9,9a,9b-decahydropyrrolo[3,4-a]indolizine-2-carboxamide
CID 129353014
N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-2-bromoacetamide
CID 63680826
(3R)-N-[(1S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-3-(methanesulfonamido)piperidine-1-carboxamide
CID 95126760
N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)prop-2-enamide
CID 43698480
N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-4-hydroxybutanamide
CID 79200616
2-(1-aminocyclopentyl)-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)acetamide
CID 64684823
1-[(3aS,9aR,9bS)-1,3,3a,4,6,7,8,9,9a,9b-decahydropyrrolo[3,4-a]indolizin-2-yl]-3-hydroxy-3-propylhexan-1-one
CID 97238448
[(3aS,9aR,9bR)-1,3,3a,4,6,7,8,9,9a,9b-decahydropyrrolo[3,4-a]indolizin-2-yl]-(1-phenylcyclopropyl)methanone
CID 98799325

Frequently Asked Questions

What is the IUPAC name of (3aS,9aR,9bR)-N-[(1R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-1,3,3a,4,6,7,8,9,9a,9b-decahydropyrrolo[3,4-a]indolizine-2-carboxamide?
The IUPAC name of (3aS,9aR,9bR)-N-[(1R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-1,3,3a,4,6,7,8,9,9a,9b-decahydropyrrolo[3,4-a]indolizine-2-carboxamide (CID 98799340) is (3aS,9aR,9bR)-N-[(1R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-1,3,3a,4,6,7,8,9,9a,9b-decahydropyrrolo[3,4-a]indolizine-2-carboxamide.
What is the SMILES notation for (3aS,9aR,9bR)-N-[(1R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-1,3,3a,4,6,7,8,9,9a,9b-decahydropyrrolo[3,4-a]indolizine-2-carboxamide?
The canonical SMILES for (3aS,9aR,9bR)-N-[(1R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-1,3,3a,4,6,7,8,9,9a,9b-decahydropyrrolo[3,4-a]indolizine-2-carboxamide is O=C(N[C@@H]1CCN2CCCC[C@H]12)N1C[C@@H]2CN3CCCC[C@@H]3[C@H]2C1.
What is the InChIKey of (3aS,9aR,9bR)-N-[(1R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-1,3,3a,4,6,7,8,9,9a,9b-decahydropyrrolo[3,4-a]indolizine-2-carboxamide?
The InChIKey is YTZQMZRBNZMZOW-QXDIGNSFSA-N. The full InChI is InChI=1S/C19H32N4O/c24-19(20-16-7-10-21-8-3-2-6-18(16)21)23-12-14-11-22-9-4-1-5-17(22)15(14)13-23/h14-18H,1-13H2,(H,20,24)/t14-,15-,16+,17+,18+/m0/s1.
What are the key properties of (3aS,9aR,9bR)-N-[(1R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-1,3,3a,4,6,7,8,9,9a,9b-decahydropyrrolo[3,4-a]indolizine-2-carboxamide?
(3aS,9aR,9bR)-N-[(1R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-1,3,3a,4,6,7,8,9,9a,9b-decahydropyrrolo[3,4-a]indolizine-2-carboxamide has a molecular weight of 332.49 g/mol, XLogP of 1.74, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,9aR,9bR)-N-[(1R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-1,3,3a,4,6,7,8,9,9a,9b-decahydropyrrolo[3,4-a]indolizine-2-carboxamide is sourced from PubChem (CID 98799340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).