[(3aS,8bS)-4,8b-dimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-3-yl]-phenylmethanone

C19H20N2O — CID 22215715

IUPAC[(3aS,8bS)-4,8b-dimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-3-yl]-phenylmethanone
SMILESCN1c2ccccc2[C@]2(C)CCN(C(=O)c3ccccc3)[C@H]12
InChIInChI=1S/C19H20N2O/c1-19-12-13-21(17(22)14-8-4-3-5-9-14)18(19)20(2)16-11-7-6-10-15(16)19/h3-11,18H,12-13H2,1-2H3/t18-,19-/m0/s1
InChIKeyRKECRENXWCSCEW-OALUTQOASA-N
MW292.38 g/mol
LogP3.27
Rot. Bonds1

About [(3aS,8bS)-4,8b-dimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-3-yl]-phenylmethanone

[(3aS,8bS)-4,8b-dimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-3-yl]-phenylmethanone (PubChem CID 22215715) has the molecular formula C19H20N2O and a molecular weight of 292.38 g/mol. Its IUPAC name is [(3aS,8bS)-4,8b-dimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-3-yl]-phenylmethanone.

Molecular Properties

Compound Name[(3aS,8bS)-4,8b-dimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-3-yl]-phenylmethanone
PubChem CID22215715
Molecular FormulaC19H20N2O
Molecular Weight292.38 g/mol
Exact Mass292.16
IUPAC Name[(3aS,8bS)-4,8b-dimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-3-yl]-phenylmethanone
SMILESCN1c2ccccc2[C@]2(C)CCN(C(=O)c3ccccc3)[C@H]12
InChIInChI=1S/C19H20N2O/c1-19-12-13-21(17(22)14-8-4-3-5-9-14)18(19)20(2)16-11-7-6-10-15(16)19/h3-11,18H,12-13H2,1-2H3/t18-,19-/m0/s1
InChIKeyRKECRENXWCSCEW-OALUTQOASA-N
XLogP3.27
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3,4,8b-trimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indole
CID 13000841
1-(4,8b-dimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-3-yl)-2-imidazol-1-ylethanone
CID 127038579
[(4aR,9aR)-4a,9-dimethyl-3-phenyl-4,9a-dihydropyridazino[3,4-b]indol-1-yl]-phenylmethanone
CID 132990323
[(4aS,9aS)-4a,9-dimethyl-3-[(E)-2-phenylethenyl]-4,9a-dihydropyridazino[3,4-b]indol-1-yl]-phenylmethanone
CID 135066569
dimethyl (3aS,8bR)-8b-methyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indole-3,4-dicarboxylate
CID 101206326
1-(4,8b-dimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-3-yl)-2-[3-[2-(4-bromophenyl)-2-oxoethyl]imidazol-3-ium-1-yl]ethanone
CID 127041920
(4,4-dimethyl-2,3-dihydroquinolin-1-yl)-phenylmethanone
CID 71830919
(4a-hydroxy-9-methyl-2,3,4,9a-tetrahydropyrido[2,3-b]indol-1-yl)-(2-fluorophenyl)methanone
CID 155550883
1-(4,8b-dimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-3-yl)-2-[2-methyl-3-(2-naphthalen-2-yl-2-oxoethyl)imidazol-3-ium-1-yl]ethanone
CID 127037980
ethyl 7-methoxy-4,8b-dimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indole-3-carboxylate
CID 612748
(2S)-1-benzoyl-3-methyl-2-phenyl-1,3-diazinan-4-one
CID 101008763
(8bS)-3,4,8b-trimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-7-ol;(E)-but-2-enedioic acid
CID 45105103

Frequently Asked Questions

What is the IUPAC name of [(3aS,8bS)-4,8b-dimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-3-yl]-phenylmethanone?
The IUPAC name of [(3aS,8bS)-4,8b-dimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-3-yl]-phenylmethanone (CID 22215715) is [(3aS,8bS)-4,8b-dimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-3-yl]-phenylmethanone.
What is the SMILES notation for [(3aS,8bS)-4,8b-dimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-3-yl]-phenylmethanone?
The canonical SMILES for [(3aS,8bS)-4,8b-dimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-3-yl]-phenylmethanone is CN1c2ccccc2[C@]2(C)CCN(C(=O)c3ccccc3)[C@H]12.
What is the InChIKey of [(3aS,8bS)-4,8b-dimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-3-yl]-phenylmethanone?
The InChIKey is RKECRENXWCSCEW-OALUTQOASA-N. The full InChI is InChI=1S/C19H20N2O/c1-19-12-13-21(17(22)14-8-4-3-5-9-14)18(19)20(2)16-11-7-6-10-15(16)19/h3-11,18H,12-13H2,1-2H3/t18-,19-/m0/s1.
What are the key properties of [(3aS,8bS)-4,8b-dimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-3-yl]-phenylmethanone?
[(3aS,8bS)-4,8b-dimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-3-yl]-phenylmethanone has a molecular weight of 292.38 g/mol, XLogP of 3.27, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3aS,8bS)-4,8b-dimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-3-yl]-phenylmethanone is sourced from PubChem (CID 22215715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).