1-[6-[3-(dimethylamino)propyl]-8-hydroxy-3-methylidene-1,2-dihydrocyclopenta[c]carbazol-9-yl]ethanone

C23H26N2O2 — CID 58276172

IUPAC1-[6-[3-(dimethylamino)propyl]-8-hydroxy-3-methylidene-1,2-dihydrocyclopenta[c]carbazol-9-yl]ethanone
SMILESC=C1CCc2c1ccc1c2c2cc(C(C)=O)c(O)cc2n1CCCN(C)C
InChIInChI=1S/C23H26N2O2/c1-14-6-7-17-16(14)8-9-20-23(17)19-12-18(15(2)26)22(27)13-21(19)25(20)11-5-10-24(3)4/h8-9,12-13,27H,1,5-7,10-11H2,2-4H3
InChIKeyDWRCYQIXCOVVTB-UHFFFAOYSA-N
MW362.47 g/mol
LogP4.61
Rot. Bonds5

About 1-[6-[3-(dimethylamino)propyl]-8-hydroxy-3-methylidene-1,2-dihydrocyclopenta[c]carbazol-9-yl]ethanone

1-[6-[3-(dimethylamino)propyl]-8-hydroxy-3-methylidene-1,2-dihydrocyclopenta[c]carbazol-9-yl]ethanone (PubChem CID 58276172) has the molecular formula C23H26N2O2 and a molecular weight of 362.47 g/mol. Its IUPAC name is 1-[6-[3-(dimethylamino)propyl]-8-hydroxy-3-methylidene-1,2-dihydrocyclopenta[c]carbazol-9-yl]ethanone.

Molecular Properties

Compound Name1-[6-[3-(dimethylamino)propyl]-8-hydroxy-3-methylidene-1,2-dihydrocyclopenta[c]carbazol-9-yl]ethanone
PubChem CID58276172
Molecular FormulaC23H26N2O2
Molecular Weight362.47 g/mol
Exact Mass362.20
IUPAC Name1-[6-[3-(dimethylamino)propyl]-8-hydroxy-3-methylidene-1,2-dihydrocyclopenta[c]carbazol-9-yl]ethanone
SMILESC=C1CCc2c1ccc1c2c2cc(C(C)=O)c(O)cc2n1CCCN(C)C
InChIInChI=1S/C23H26N2O2/c1-14-6-7-17-16(14)8-9-20-23(17)19-12-18(15(2)26)22(27)13-21(19)25(20)11-5-10-24(3)4/h8-9,12-13,27H,1,5-7,10-11H2,2-4H3
InChIKeyDWRCYQIXCOVVTB-UHFFFAOYSA-N
XLogP4.61
TPSA45.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[6-[3-(dimethylamino)propyl]-8-hydroxy-3-methylidene-1,2-dihydrocyclopenta[c]carbazol-9-yl]ethanone?
The IUPAC name of 1-[6-[3-(dimethylamino)propyl]-8-hydroxy-3-methylidene-1,2-dihydrocyclopenta[c]carbazol-9-yl]ethanone (CID 58276172) is 1-[6-[3-(dimethylamino)propyl]-8-hydroxy-3-methylidene-1,2-dihydrocyclopenta[c]carbazol-9-yl]ethanone.
What is the SMILES notation for 1-[6-[3-(dimethylamino)propyl]-8-hydroxy-3-methylidene-1,2-dihydrocyclopenta[c]carbazol-9-yl]ethanone?
The canonical SMILES for 1-[6-[3-(dimethylamino)propyl]-8-hydroxy-3-methylidene-1,2-dihydrocyclopenta[c]carbazol-9-yl]ethanone is C=C1CCc2c1ccc1c2c2cc(C(C)=O)c(O)cc2n1CCCN(C)C.
What is the InChIKey of 1-[6-[3-(dimethylamino)propyl]-8-hydroxy-3-methylidene-1,2-dihydrocyclopenta[c]carbazol-9-yl]ethanone?
The InChIKey is DWRCYQIXCOVVTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O2/c1-14-6-7-17-16(14)8-9-20-23(17)19-12-18(15(2)26)22(27)13-21(19)25(20)11-5-10-24(3)4/h8-9,12-13,27H,1,5-7,10-11H2,2-4H3.
What are the key properties of 1-[6-[3-(dimethylamino)propyl]-8-hydroxy-3-methylidene-1,2-dihydrocyclopenta[c]carbazol-9-yl]ethanone?
1-[6-[3-(dimethylamino)propyl]-8-hydroxy-3-methylidene-1,2-dihydrocyclopenta[c]carbazol-9-yl]ethanone has a molecular weight of 362.47 g/mol, XLogP of 4.61, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[3-(dimethylamino)propyl]-8-hydroxy-3-methylidene-1,2-dihydrocyclopenta[c]carbazol-9-yl]ethanone is sourced from PubChem (CID 58276172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).