(2S,3S,3aS,9bR)-2,3-diphenyl-1,2,3,3a,4,9b-hexahydrochromeno[4,3-b]pyrrole

C23H21NO — CID 11896515

IUPAC(2S,3S,3aS,9bR)-2,3-diphenyl-1,2,3,3a,4,9b-hexahydrochromeno[4,3-b]pyrrole
SMILESc1ccc([C@@H]2[C@@H]3COc4ccccc4[C@@H]3N[C@@H]2c2ccccc2)cc1
InChIInChI=1S/C23H21NO/c1-3-9-16(10-4-1)21-19-15-25-20-14-8-7-13-18(20)23(19)24-22(21)17-11-5-2-6-12-17/h1-14,19,21-24H,15H2/t19-,21+,22+,23-/m0/s1
InChIKeyRCYAVNHQXWBEAI-IZBOUPIGSA-N
MW327.43 g/mol
LogP4.86
Rot. Bonds2

About (2S,3S,3aS,9bR)-2,3-diphenyl-1,2,3,3a,4,9b-hexahydrochromeno[4,3-b]pyrrole

(2S,3S,3aS,9bR)-2,3-diphenyl-1,2,3,3a,4,9b-hexahydrochromeno[4,3-b]pyrrole (PubChem CID 11896515) has the molecular formula C23H21NO and a molecular weight of 327.43 g/mol. Its IUPAC name is (2S,3S,3aS,9bR)-2,3-diphenyl-1,2,3,3a,4,9b-hexahydrochromeno[4,3-b]pyrrole.

Molecular Properties

Compound Name(2S,3S,3aS,9bR)-2,3-diphenyl-1,2,3,3a,4,9b-hexahydrochromeno[4,3-b]pyrrole
PubChem CID11896515
Molecular FormulaC23H21NO
Molecular Weight327.43 g/mol
Exact Mass327.16
IUPAC Name(2S,3S,3aS,9bR)-2,3-diphenyl-1,2,3,3a,4,9b-hexahydrochromeno[4,3-b]pyrrole
SMILESc1ccc([C@@H]2[C@@H]3COc4ccccc4[C@@H]3N[C@@H]2c2ccccc2)cc1
InChIInChI=1S/C23H21NO/c1-3-9-16(10-4-1)21-19-15-25-20-14-8-7-13-18(20)23(19)24-22(21)17-11-5-2-6-12-17/h1-14,19,21-24H,15H2/t19-,21+,22+,23-/m0/s1
InChIKeyRCYAVNHQXWBEAI-IZBOUPIGSA-N
XLogP4.86
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2S,3S,3aS,9bR)-2,3-diphenyl-1,2,3,3a,4,9b-hexahydrochromeno[4,3-b]pyrrole with MolForge

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Related Compounds

(3R,3aS,9bR)-3-phenyl-3,3a,4,9b-tetrahydro-1H-chromeno[4,3-c][1,2]oxazole
CID 11075981
(6aR,7S,12aR)-7-phenyl-6a,7,12,12a-tetrahydro-6H-chromeno[4,3-b]quinoline
CID 132534994
(2S,3S,3aR,9bR)-2,3-diphenyl-1,2,3,3a,4,9b-hexahydrochromeno[4,3-b]pyrrol-1-ium
CID 11896518
1,1a,2,7b-tetrahydrocyclopropa[c]chromen-1-amine
CID 102547899
N-tert-butyl-1,2,3,3a,4,9b-hexahydrochromeno[4,3-c]pyrazol-3-amine
CID 76986044
2,3-dihydro-1-benzofuran-3-ol
CID 585896
(3R)-2,3-dihydro-1-benzofuran-3-amine
CID 40787193
3-iodo-2,3-dihydro-1-benzofuran
CID 154708354
(3S)-2,3-dihydro-1-benzofuran-3-amine;hydrochloride
CID 119030525
(4S,4aR)-4-methoxy-2,3,4,4a,5,10b-hexahydro-1H-chromeno[3,4-c]pyridine
CID 57149201
3-benzyl-2,3-dihydro-1-benzofuran
CID 11356275
N,N-dimethyl-2,3-dihydro-1-benzofuran-3-amine
CID 45088771

Frequently Asked Questions

What is the IUPAC name of (2S,3S,3aS,9bR)-2,3-diphenyl-1,2,3,3a,4,9b-hexahydrochromeno[4,3-b]pyrrole?
The IUPAC name of (2S,3S,3aS,9bR)-2,3-diphenyl-1,2,3,3a,4,9b-hexahydrochromeno[4,3-b]pyrrole (CID 11896515) is (2S,3S,3aS,9bR)-2,3-diphenyl-1,2,3,3a,4,9b-hexahydrochromeno[4,3-b]pyrrole.
What is the SMILES notation for (2S,3S,3aS,9bR)-2,3-diphenyl-1,2,3,3a,4,9b-hexahydrochromeno[4,3-b]pyrrole?
The canonical SMILES for (2S,3S,3aS,9bR)-2,3-diphenyl-1,2,3,3a,4,9b-hexahydrochromeno[4,3-b]pyrrole is c1ccc([C@@H]2[C@@H]3COc4ccccc4[C@@H]3N[C@@H]2c2ccccc2)cc1.
What is the InChIKey of (2S,3S,3aS,9bR)-2,3-diphenyl-1,2,3,3a,4,9b-hexahydrochromeno[4,3-b]pyrrole?
The InChIKey is RCYAVNHQXWBEAI-IZBOUPIGSA-N. The full InChI is InChI=1S/C23H21NO/c1-3-9-16(10-4-1)21-19-15-25-20-14-8-7-13-18(20)23(19)24-22(21)17-11-5-2-6-12-17/h1-14,19,21-24H,15H2/t19-,21+,22+,23-/m0/s1.
What are the key properties of (2S,3S,3aS,9bR)-2,3-diphenyl-1,2,3,3a,4,9b-hexahydrochromeno[4,3-b]pyrrole?
(2S,3S,3aS,9bR)-2,3-diphenyl-1,2,3,3a,4,9b-hexahydrochromeno[4,3-b]pyrrole has a molecular weight of 327.43 g/mol, XLogP of 4.86, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,3aS,9bR)-2,3-diphenyl-1,2,3,3a,4,9b-hexahydrochromeno[4,3-b]pyrrole is sourced from PubChem (CID 11896515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).