(3aR,8bR)-7-methoxy-3,4-dimethyl-8b-phenyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indole

C19H22N2O — CID 53467928

IUPAC(3aR,8bR)-7-methoxy-3,4-dimethyl-8b-phenyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indole
SMILESCOc1ccc2c(c1)[C@]1(c3ccccc3)CCN(C)[C@@H]1N2C
InChIInChI=1S/C19H22N2O/c1-20-12-11-19(14-7-5-4-6-8-14)16-13-15(22-3)9-10-17(16)21(2)18(19)20/h4-10,13,18H,11-12H2,1-3H3/t18-,19-/m1/s1
InChIKeyYEVGJRCFZNFNSK-RTBURBONSA-N
MW294.40 g/mol
LogP3.09
Rot. Bonds2

About (3aR,8bR)-7-methoxy-3,4-dimethyl-8b-phenyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indole

(3aR,8bR)-7-methoxy-3,4-dimethyl-8b-phenyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indole (PubChem CID 53467928) has the molecular formula C19H22N2O and a molecular weight of 294.40 g/mol. Its IUPAC name is (3aR,8bR)-7-methoxy-3,4-dimethyl-8b-phenyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indole.

Molecular Properties

Compound Name(3aR,8bR)-7-methoxy-3,4-dimethyl-8b-phenyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indole
PubChem CID53467928
Molecular FormulaC19H22N2O
Molecular Weight294.40 g/mol
Exact Mass294.17
IUPAC Name(3aR,8bR)-7-methoxy-3,4-dimethyl-8b-phenyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indole
SMILESCOc1ccc2c(c1)[C@]1(c3ccccc3)CCN(C)[C@@H]1N2C
InChIInChI=1S/C19H22N2O/c1-20-12-11-19(14-7-5-4-6-8-14)16-13-15(22-3)9-10-17(16)21(2)18(19)20/h4-10,13,18H,11-12H2,1-3H3/t18-,19-/m1/s1
InChIKeyYEVGJRCFZNFNSK-RTBURBONSA-N
XLogP3.09
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

Analyze (3aR,8bR)-7-methoxy-3,4-dimethyl-8b-phenyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indole with MolForge

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Related Compounds

(8bS)-7-methoxy-3,4,8b-trimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indole
CID 12518610
(3aS,8bR)-8b-ethyl-7-methoxy-3,4-dimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indole
CID 122231230
(8bS)-7-methoxy-4,8b-dimethyl-3-prop-2-enyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indole
CID 67704190
bis[(3aR,8bS)-3,4,8b-trimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-7-yl] carbonate
CID 67794082
(8bS)-3,4-dimethyl-8b-(4-methylphenyl)-2,3a-dihydro-1H-pyrrolo[2,3-b]indole;methanethiol;3-(4-methoxyphenoxy)propan-1-amine;N-prop-2-enylprop-1-en-2-amine
CID 155734313
4-methoxy-13-methyl-1-phenyl-10-prop-2-ynyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene
CID 90674341
ethyl 7-methoxy-4,8b-dimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indole-3-carboxylate
CID 612748
3-benzyl-7-ethoxy-4,8b-dimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indole
CID 77387551
6-methoxy-4,4-dimethyl-3a-phenyl-1,2-dihydro-[1,3]oxazolo[3,2-a]indole
CID 102153614
3,4,8b-trimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indole
CID 13000841
5-methoxy-3,3-dimethyl-1-(2-phenylethyl)-2H-indole
CID 21328314
6-methoxy-1-phenyl-2,3-dihydroinden-1-amine
CID 79374582

Frequently Asked Questions

What is the IUPAC name of (3aR,8bR)-7-methoxy-3,4-dimethyl-8b-phenyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indole?
The IUPAC name of (3aR,8bR)-7-methoxy-3,4-dimethyl-8b-phenyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indole (CID 53467928) is (3aR,8bR)-7-methoxy-3,4-dimethyl-8b-phenyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indole.
What is the SMILES notation for (3aR,8bR)-7-methoxy-3,4-dimethyl-8b-phenyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indole?
The canonical SMILES for (3aR,8bR)-7-methoxy-3,4-dimethyl-8b-phenyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indole is COc1ccc2c(c1)[C@]1(c3ccccc3)CCN(C)[C@@H]1N2C.
What is the InChIKey of (3aR,8bR)-7-methoxy-3,4-dimethyl-8b-phenyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indole?
The InChIKey is YEVGJRCFZNFNSK-RTBURBONSA-N. The full InChI is InChI=1S/C19H22N2O/c1-20-12-11-19(14-7-5-4-6-8-14)16-13-15(22-3)9-10-17(16)21(2)18(19)20/h4-10,13,18H,11-12H2,1-3H3/t18-,19-/m1/s1.
What are the key properties of (3aR,8bR)-7-methoxy-3,4-dimethyl-8b-phenyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indole?
(3aR,8bR)-7-methoxy-3,4-dimethyl-8b-phenyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indole has a molecular weight of 294.40 g/mol, XLogP of 3.09, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,8bR)-7-methoxy-3,4-dimethyl-8b-phenyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indole is sourced from PubChem (CID 53467928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).