(4R)-4-ethyl-1-methyl-3,3a,4,5,10,10b-hexahydropyrrolo[2,3-a]carbazol-2-one

C17H20N2O — CID 134846042

IUPAC(4R)-4-ethyl-1-methyl-3,3a,4,5,10,10b-hexahydropyrrolo[2,3-a]carbazol-2-one
SMILESCC[C@@H]1Cc2c([nH]c3ccccc23)C2C1CC(=O)N2C
InChIInChI=1S/C17H20N2O/c1-3-10-8-13-11-6-4-5-7-14(11)18-16(13)17-12(10)9-15(20)19(17)2/h4-7,10,12,17-18H,3,8-9H2,1-2H3/t10-,12?,17?/m1/s1
InChIKeyHXSLIUIPYBIFBW-MMODKWEGSA-N
MW268.36 g/mol
LogP3.27
Rot. Bonds1

About (4R)-4-ethyl-1-methyl-3,3a,4,5,10,10b-hexahydropyrrolo[2,3-a]carbazol-2-one

(4R)-4-ethyl-1-methyl-3,3a,4,5,10,10b-hexahydropyrrolo[2,3-a]carbazol-2-one (PubChem CID 134846042) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is (4R)-4-ethyl-1-methyl-3,3a,4,5,10,10b-hexahydropyrrolo[2,3-a]carbazol-2-one.

Molecular Properties

Compound Name(4R)-4-ethyl-1-methyl-3,3a,4,5,10,10b-hexahydropyrrolo[2,3-a]carbazol-2-one
PubChem CID134846042
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC Name(4R)-4-ethyl-1-methyl-3,3a,4,5,10,10b-hexahydropyrrolo[2,3-a]carbazol-2-one
SMILESCC[C@@H]1Cc2c([nH]c3ccccc23)C2C1CC(=O)N2C
InChIInChI=1S/C17H20N2O/c1-3-10-8-13-11-6-4-5-7-14(11)18-16(13)17-12(10)9-15(20)19(17)2/h4-7,10,12,17-18H,3,8-9H2,1-2H3/t10-,12?,17?/m1/s1
InChIKeyHXSLIUIPYBIFBW-MMODKWEGSA-N
XLogP3.27
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Analyze (4R)-4-ethyl-1-methyl-3,3a,4,5,10,10b-hexahydropyrrolo[2,3-a]carbazol-2-one with MolForge

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Related Compounds

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2-[(1R,2R,3S)-3-ethyl-1-hydroxy-2,3,4,9-tetrahydro-1H-carbazol-2-yl]-N-methylacetamide
CID 132606381
(5R)-5-ethyl-4-(2-hydroxyethyl)-7-methyl-7,17-diazatricyclo[8.7.0.011,16]heptadeca-1(10),11,13,15-tetraen-2-one
CID 177482511
methyl (1S,15R,18R)-15-ethyl-17-methyl-12-oxo-10,17-diazatetracyclo[12.3.1.03,11.04,9]octadeca-3(11),4,6,8-tetraene-18-carboxylate
CID 3054498
methyl (1S,14S,15S,18R)-15-ethyl-17-methyl-12-oxo-10,17-diazatetracyclo[12.3.1.03,11.04,9]octadeca-3(11),4,6,8-tetraene-18-carboxylate
CID 45268651
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3-ethyl-1,2,3,4-tetrahydrocyclopenta[b]indole
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1-ethyl-6,7,12,12b-tetrahydro-1H-indolo[2,3-a]quinolizin-4-one
CID 135086287
methyl (1S,14S,15S)-15-ethyl-17-methyl-12-oxo-10,17-diazatetracyclo[12.3.1.03,11.04,9]octadeca-3(11),4,6,8-tetraene-18-carboxylate;hydrochloride
CID 21153058
(1R,15R,17S,18S)-17-ethyl-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4,6,8-tetraen-12-one
CID 11403663
(1S)-1-[(1S,12bS)-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-1-yl]propan-1-ol
CID 24840664
ethane;molecular iodine;2,5,6-trimethyl-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraene-4,7-dione
CID 158954132

Frequently Asked Questions

What is the IUPAC name of (4R)-4-ethyl-1-methyl-3,3a,4,5,10,10b-hexahydropyrrolo[2,3-a]carbazol-2-one?
The IUPAC name of (4R)-4-ethyl-1-methyl-3,3a,4,5,10,10b-hexahydropyrrolo[2,3-a]carbazol-2-one (CID 134846042) is (4R)-4-ethyl-1-methyl-3,3a,4,5,10,10b-hexahydropyrrolo[2,3-a]carbazol-2-one.
What is the SMILES notation for (4R)-4-ethyl-1-methyl-3,3a,4,5,10,10b-hexahydropyrrolo[2,3-a]carbazol-2-one?
The canonical SMILES for (4R)-4-ethyl-1-methyl-3,3a,4,5,10,10b-hexahydropyrrolo[2,3-a]carbazol-2-one is CC[C@@H]1Cc2c([nH]c3ccccc23)C2C1CC(=O)N2C.
What is the InChIKey of (4R)-4-ethyl-1-methyl-3,3a,4,5,10,10b-hexahydropyrrolo[2,3-a]carbazol-2-one?
The InChIKey is HXSLIUIPYBIFBW-MMODKWEGSA-N. The full InChI is InChI=1S/C17H20N2O/c1-3-10-8-13-11-6-4-5-7-14(11)18-16(13)17-12(10)9-15(20)19(17)2/h4-7,10,12,17-18H,3,8-9H2,1-2H3/t10-,12?,17?/m1/s1.
What are the key properties of (4R)-4-ethyl-1-methyl-3,3a,4,5,10,10b-hexahydropyrrolo[2,3-a]carbazol-2-one?
(4R)-4-ethyl-1-methyl-3,3a,4,5,10,10b-hexahydropyrrolo[2,3-a]carbazol-2-one has a molecular weight of 268.36 g/mol, XLogP of 3.27, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-ethyl-1-methyl-3,3a,4,5,10,10b-hexahydropyrrolo[2,3-a]carbazol-2-one is sourced from PubChem (CID 134846042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).