1-[10-(1H-indol-3-yl)-2,2-dimethyl-4,9,10,10a-tetrahydro-3aH-[1,3]dioxolo[4,5-b]carbazol-4-yl]ethane-1,2-diol

C25H26N2O4 — CID 10202158

IUPAC1-[10-(1H-indol-3-yl)-2,2-dimethyl-4,9,10,10a-tetrahydro-3aH-[1,3]dioxolo[4,5-b]carbazol-4-yl]ethane-1,2-diol
SMILESCC1(C)OC2C(c3c[nH]c4ccccc34)c3[nH]c4ccccc4c3C(C(O)CO)C2O1
InChIInChI=1S/C25H26N2O4/c1-25(2)30-23-20(15-11-26-16-9-5-3-7-13(15)16)22-19(14-8-4-6-10-17(14)27-22)21(18(29)12-28)24(23)31-25/h3-11,18,20-21,23-24,26-29H,12H2,1-2H3
InChIKeyQEAXMWAZENRCIU-UHFFFAOYSA-N
MW418.49 g/mol
LogP3.75
Rot. Bonds3

About 1-[10-(1H-indol-3-yl)-2,2-dimethyl-4,9,10,10a-tetrahydro-3aH-[1,3]dioxolo[4,5-b]carbazol-4-yl]ethane-1,2-diol

1-[10-(1H-indol-3-yl)-2,2-dimethyl-4,9,10,10a-tetrahydro-3aH-[1,3]dioxolo[4,5-b]carbazol-4-yl]ethane-1,2-diol (PubChem CID 10202158) has the molecular formula C25H26N2O4 and a molecular weight of 418.49 g/mol. Its IUPAC name is 1-[10-(1H-indol-3-yl)-2,2-dimethyl-4,9,10,10a-tetrahydro-3aH-[1,3]dioxolo[4,5-b]carbazol-4-yl]ethane-1,2-diol.

Molecular Properties

Compound Name1-[10-(1H-indol-3-yl)-2,2-dimethyl-4,9,10,10a-tetrahydro-3aH-[1,3]dioxolo[4,5-b]carbazol-4-yl]ethane-1,2-diol
PubChem CID10202158
Molecular FormulaC25H26N2O4
Molecular Weight418.49 g/mol
Exact Mass418.19
IUPAC Name1-[10-(1H-indol-3-yl)-2,2-dimethyl-4,9,10,10a-tetrahydro-3aH-[1,3]dioxolo[4,5-b]carbazol-4-yl]ethane-1,2-diol
SMILESCC1(C)OC2C(c3c[nH]c4ccccc34)c3[nH]c4ccccc4c3C(C(O)CO)C2O1
InChIInChI=1S/C25H26N2O4/c1-25(2)30-23-20(15-11-26-16-9-5-3-7-13(15)16)22-19(14-8-4-6-10-17(14)27-22)21(18(29)12-28)24(23)31-25/h3-11,18,20-21,23-24,26-29H,12H2,1-2H3
InChIKeyQEAXMWAZENRCIU-UHFFFAOYSA-N
XLogP3.75
TPSA90.50 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.49
LogP ≤ 53.75
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 1-[10-(1H-indol-3-yl)-2,2-dimethyl-4,9,10,10a-tetrahydro-3aH-[1,3]dioxolo[4,5-b]carbazol-4-yl]ethane-1,2-diol with MolForge

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Related Compounds

(1R,3R)-2-bromo-1,3-bis(1H-indol-3-yl)-1,2,3,4-tetrahydrocyclopenta[b]indole
CID 155816934
2,3-dihydroxy-1-(1H-indol-3-yl)-2,3,4,9-tetrahydro-1H-carbazole-4-carbaldehyde
CID 10269123
(6R,15S)-6,15-bis(1H-indol-3-yl)-6,7,8,9,10,11,12,13,14,15-decahydro-5H-cyclododeca[b]indole
CID 155805566
(1R,2S,3S)-3-(1H-indol-3-yl)-1-(4-nitrophenyl)-2-phenyl-1,2,3,4-tetrahydrocyclopenta[b]indole
CID 177425594
3-(1H-indol-3-yl)oxiran-2-ol
CID 123804780
(2R,10S)-2,10-bis(1H-indol-3-yl)-12-azatetracyclo[9.7.0.03,8.013,18]octadeca-1(11),3,5,7,13,15,17-heptaene
CID 155807475
(3S,4S,5S)-4-(1H-indol-3-yl)-2-oxo-5-[(1S,2S)-1,2,3-trihydroxypropyl]oxolane-3-carboxylic acid
CID 101496637
5-(1,2-dihydroxyethyl)-1-(3-imidazol-1-ylpropyl)-4-(1H-indol-3-yl)pyrrolidine-2,3-dione
CID 123587198
(3R,4R)-3-(1-ethyl-6,6-dimethylcyclopenta[b]pyrrol-3-yl)-4-(1H-indol-3-yl)pyrrolidine-2,5-dione
CID 163810037
(1S)-1-[(4S,5S)-2,2-dimethyl-5-[10,15,20-tris[(4S,5R)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-5,10,15,20,21,22,23,24-octahydroporphyrin-5-yl]-1,3-dioxolan-4-yl]ethane-1,2-diol
CID 10463854
(3S,5R)-5-[(1R)-1,2-dihydroxyethyl]-3-hydroxy-3-(1H-indol-3-ylmethyl)oxolane-2,4-dione
CID 102137641
3-(3,3-dimethyloxiran-2-yl)-2-methyl-1H-indole
CID 116864052

Frequently Asked Questions

What is the IUPAC name of 1-[10-(1H-indol-3-yl)-2,2-dimethyl-4,9,10,10a-tetrahydro-3aH-[1,3]dioxolo[4,5-b]carbazol-4-yl]ethane-1,2-diol?
The IUPAC name of 1-[10-(1H-indol-3-yl)-2,2-dimethyl-4,9,10,10a-tetrahydro-3aH-[1,3]dioxolo[4,5-b]carbazol-4-yl]ethane-1,2-diol (CID 10202158) is 1-[10-(1H-indol-3-yl)-2,2-dimethyl-4,9,10,10a-tetrahydro-3aH-[1,3]dioxolo[4,5-b]carbazol-4-yl]ethane-1,2-diol.
What is the SMILES notation for 1-[10-(1H-indol-3-yl)-2,2-dimethyl-4,9,10,10a-tetrahydro-3aH-[1,3]dioxolo[4,5-b]carbazol-4-yl]ethane-1,2-diol?
The canonical SMILES for 1-[10-(1H-indol-3-yl)-2,2-dimethyl-4,9,10,10a-tetrahydro-3aH-[1,3]dioxolo[4,5-b]carbazol-4-yl]ethane-1,2-diol is CC1(C)OC2C(c3c[nH]c4ccccc34)c3[nH]c4ccccc4c3C(C(O)CO)C2O1.
What is the InChIKey of 1-[10-(1H-indol-3-yl)-2,2-dimethyl-4,9,10,10a-tetrahydro-3aH-[1,3]dioxolo[4,5-b]carbazol-4-yl]ethane-1,2-diol?
The InChIKey is QEAXMWAZENRCIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O4/c1-25(2)30-23-20(15-11-26-16-9-5-3-7-13(15)16)22-19(14-8-4-6-10-17(14)27-22)21(18(29)12-28)24(23)31-25/h3-11,18,20-21,23-24,26-29H,12H2,1-2H3.
What are the key properties of 1-[10-(1H-indol-3-yl)-2,2-dimethyl-4,9,10,10a-tetrahydro-3aH-[1,3]dioxolo[4,5-b]carbazol-4-yl]ethane-1,2-diol?
1-[10-(1H-indol-3-yl)-2,2-dimethyl-4,9,10,10a-tetrahydro-3aH-[1,3]dioxolo[4,5-b]carbazol-4-yl]ethane-1,2-diol has a molecular weight of 418.49 g/mol, XLogP of 3.75, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[10-(1H-indol-3-yl)-2,2-dimethyl-4,9,10,10a-tetrahydro-3aH-[1,3]dioxolo[4,5-b]carbazol-4-yl]ethane-1,2-diol is sourced from PubChem (CID 10202158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).