(4bS,6aS,6bR,12aS,12bS)-4b,6a,6b,7,8,9,10,12a,12b,13-decahydroindolizino[1,2-c]phenanthridine-12,14-dione

C19H20N2O2 — CID 134840935

IUPAC(4bS,6aS,6bR,12aS,12bS)-4b,6a,6b,7,8,9,10,12a,12b,13-decahydroindolizino[1,2-c]phenanthridine-12,14-dione
SMILESO=C1N[C@@H]2[C@H]3C(=O)N4CCCC[C@@H]4[C@H]3C=C[C@H]2c2ccccc21
InChIInChI=1S/C19H20N2O2/c22-18-13-6-2-1-5-11(13)12-8-9-14-15-7-3-4-10-21(15)19(23)16(14)17(12)20-18/h1-2,5-6,8-9,12,14-17H,3-4,7,10H2,(H,20,22)/t12-,14+,15+,16-,17-/m0/s1
InChIKeyFRBKVLRMHHMDND-WFKFIOEPSA-N
MW308.38 g/mol
LogP2.08
Rot. Bonds

About (4bS,6aS,6bR,12aS,12bS)-4b,6a,6b,7,8,9,10,12a,12b,13-decahydroindolizino[1,2-c]phenanthridine-12,14-dione

(4bS,6aS,6bR,12aS,12bS)-4b,6a,6b,7,8,9,10,12a,12b,13-decahydroindolizino[1,2-c]phenanthridine-12,14-dione (PubChem CID 134840935) has the molecular formula C19H20N2O2 and a molecular weight of 308.38 g/mol. Its IUPAC name is (4bS,6aS,6bR,12aS,12bS)-4b,6a,6b,7,8,9,10,12a,12b,13-decahydroindolizino[1,2-c]phenanthridine-12,14-dione.

Molecular Properties

Compound Name(4bS,6aS,6bR,12aS,12bS)-4b,6a,6b,7,8,9,10,12a,12b,13-decahydroindolizino[1,2-c]phenanthridine-12,14-dione
PubChem CID134840935
Molecular FormulaC19H20N2O2
Molecular Weight308.38 g/mol
Exact Mass308.15
IUPAC Name(4bS,6aS,6bR,12aS,12bS)-4b,6a,6b,7,8,9,10,12a,12b,13-decahydroindolizino[1,2-c]phenanthridine-12,14-dione
SMILESO=C1N[C@@H]2[C@H]3C(=O)N4CCCC[C@@H]4[C@H]3C=C[C@H]2c2ccccc21
InChIInChI=1S/C19H20N2O2/c22-18-13-6-2-1-5-11(13)12-8-9-14-15-7-3-4-10-21(15)19(23)16(14)17(12)20-18/h1-2,5-6,8-9,12,14-17H,3-4,7,10H2,(H,20,22)/t12-,14+,15+,16-,17-/m0/s1
InChIKeyFRBKVLRMHHMDND-WFKFIOEPSA-N
XLogP2.08
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (4bS,6aS,6bR,12aS,12bS)-4b,6a,6b,7,8,9,10,12a,12b,13-decahydroindolizino[1,2-c]phenanthridine-12,14-dione with MolForge

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Related Compounds

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3-(cyclopentylmethyl)-2,3-dihydroisoindol-1-one
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3-[(3-oxo-1,2-dihydroisoindol-1-yl)methyl]-2,3-dihydroisoindol-1-one
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CID 70061489
1-[2-(aminomethyl)phenyl]-1,2,5,6,7,8,9,9a-octahydropyrrolo[1,2-a]azepin-3-one
CID 82623639
1,1a,2,7b-tetrahydrocyclopropa[c]isoquinolin-3-one
CID 82274917
3-(hydroxymethyl)-2,3-dihydroisoindol-1-one
CID 119088605
2-[2-(1,3-dioxoisoindol-2-yl)cyclohexyl]isoindole-1,3-dione
CID 2911337
1,2,3,4,11,11a-hexahydrobenzo[b]quinolizin-6-one
CID 2752792
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Frequently Asked Questions

What is the IUPAC name of (4bS,6aS,6bR,12aS,12bS)-4b,6a,6b,7,8,9,10,12a,12b,13-decahydroindolizino[1,2-c]phenanthridine-12,14-dione?
The IUPAC name of (4bS,6aS,6bR,12aS,12bS)-4b,6a,6b,7,8,9,10,12a,12b,13-decahydroindolizino[1,2-c]phenanthridine-12,14-dione (CID 134840935) is (4bS,6aS,6bR,12aS,12bS)-4b,6a,6b,7,8,9,10,12a,12b,13-decahydroindolizino[1,2-c]phenanthridine-12,14-dione.
What is the SMILES notation for (4bS,6aS,6bR,12aS,12bS)-4b,6a,6b,7,8,9,10,12a,12b,13-decahydroindolizino[1,2-c]phenanthridine-12,14-dione?
The canonical SMILES for (4bS,6aS,6bR,12aS,12bS)-4b,6a,6b,7,8,9,10,12a,12b,13-decahydroindolizino[1,2-c]phenanthridine-12,14-dione is O=C1N[C@@H]2[C@H]3C(=O)N4CCCC[C@@H]4[C@H]3C=C[C@H]2c2ccccc21.
What is the InChIKey of (4bS,6aS,6bR,12aS,12bS)-4b,6a,6b,7,8,9,10,12a,12b,13-decahydroindolizino[1,2-c]phenanthridine-12,14-dione?
The InChIKey is FRBKVLRMHHMDND-WFKFIOEPSA-N. The full InChI is InChI=1S/C19H20N2O2/c22-18-13-6-2-1-5-11(13)12-8-9-14-15-7-3-4-10-21(15)19(23)16(14)17(12)20-18/h1-2,5-6,8-9,12,14-17H,3-4,7,10H2,(H,20,22)/t12-,14+,15+,16-,17-/m0/s1.
What are the key properties of (4bS,6aS,6bR,12aS,12bS)-4b,6a,6b,7,8,9,10,12a,12b,13-decahydroindolizino[1,2-c]phenanthridine-12,14-dione?
(4bS,6aS,6bR,12aS,12bS)-4b,6a,6b,7,8,9,10,12a,12b,13-decahydroindolizino[1,2-c]phenanthridine-12,14-dione has a molecular weight of 308.38 g/mol, XLogP of 2.08, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4bS,6aS,6bR,12aS,12bS)-4b,6a,6b,7,8,9,10,12a,12b,13-decahydroindolizino[1,2-c]phenanthridine-12,14-dione is sourced from PubChem (CID 134840935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).