9-acetyl-6-[2-[(2R)-1-methylpyrrolidin-2-yl]ethyl]-1,2-dihydrocyclopenta[c]carbazol-3-one

C24H26N2O2 — CID 44519134

IUPAC9-acetyl-6-[2-[(2R)-1-methylpyrrolidin-2-yl]ethyl]-1,2-dihydrocyclopenta[c]carbazol-3-one
SMILESCC(=O)c1ccc2c(c1)c1c3c(ccc1n2CC[C@H]1CCCN1C)C(=O)CC3
InChIInChI=1S/C24H26N2O2/c1-15(27)16-5-8-21-20(14-16)24-19-7-10-23(28)18(19)6-9-22(24)26(21)13-11-17-4-3-12-25(17)2/h5-6,8-9,14,17H,3-4,7,10-13H2,1-2H3/t17-/m1/s1
InChIKeyHCMMBTOYIMVPBJ-QGZVFWFLSA-N
MW374.48 g/mol
LogP4.61
Rot. Bonds4

About 9-acetyl-6-[2-[(2R)-1-methylpyrrolidin-2-yl]ethyl]-1,2-dihydrocyclopenta[c]carbazol-3-one

9-acetyl-6-[2-[(2R)-1-methylpyrrolidin-2-yl]ethyl]-1,2-dihydrocyclopenta[c]carbazol-3-one (PubChem CID 44519134) has the molecular formula C24H26N2O2 and a molecular weight of 374.48 g/mol. Its IUPAC name is 9-acetyl-6-[2-[(2R)-1-methylpyrrolidin-2-yl]ethyl]-1,2-dihydrocyclopenta[c]carbazol-3-one.

Molecular Properties

Compound Name9-acetyl-6-[2-[(2R)-1-methylpyrrolidin-2-yl]ethyl]-1,2-dihydrocyclopenta[c]carbazol-3-one
PubChem CID44519134
Molecular FormulaC24H26N2O2
Molecular Weight374.48 g/mol
Exact Mass374.20
IUPAC Name9-acetyl-6-[2-[(2R)-1-methylpyrrolidin-2-yl]ethyl]-1,2-dihydrocyclopenta[c]carbazol-3-one
SMILESCC(=O)c1ccc2c(c1)c1c3c(ccc1n2CC[C@H]1CCCN1C)C(=O)CC3
InChIInChI=1S/C24H26N2O2/c1-15(27)16-5-8-21-20(14-16)24-19-7-10-23(28)18(19)6-9-22(24)26(21)13-11-17-4-3-12-25(17)2/h5-6,8-9,14,17H,3-4,7,10-13H2,1-2H3/t17-/m1/s1
InChIKeyHCMMBTOYIMVPBJ-QGZVFWFLSA-N
XLogP4.61
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.48
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 9-acetyl-6-[2-[(2R)-1-methylpyrrolidin-2-yl]ethyl]-1,2-dihydrocyclopenta[c]carbazol-3-one?
The IUPAC name of 9-acetyl-6-[2-[(2R)-1-methylpyrrolidin-2-yl]ethyl]-1,2-dihydrocyclopenta[c]carbazol-3-one (CID 44519134) is 9-acetyl-6-[2-[(2R)-1-methylpyrrolidin-2-yl]ethyl]-1,2-dihydrocyclopenta[c]carbazol-3-one.
What is the SMILES notation for 9-acetyl-6-[2-[(2R)-1-methylpyrrolidin-2-yl]ethyl]-1,2-dihydrocyclopenta[c]carbazol-3-one?
The canonical SMILES for 9-acetyl-6-[2-[(2R)-1-methylpyrrolidin-2-yl]ethyl]-1,2-dihydrocyclopenta[c]carbazol-3-one is CC(=O)c1ccc2c(c1)c1c3c(ccc1n2CC[C@H]1CCCN1C)C(=O)CC3.
What is the InChIKey of 9-acetyl-6-[2-[(2R)-1-methylpyrrolidin-2-yl]ethyl]-1,2-dihydrocyclopenta[c]carbazol-3-one?
The InChIKey is HCMMBTOYIMVPBJ-QGZVFWFLSA-N. The full InChI is InChI=1S/C24H26N2O2/c1-15(27)16-5-8-21-20(14-16)24-19-7-10-23(28)18(19)6-9-22(24)26(21)13-11-17-4-3-12-25(17)2/h5-6,8-9,14,17H,3-4,7,10-13H2,1-2H3/t17-/m1/s1.
What are the key properties of 9-acetyl-6-[2-[(2R)-1-methylpyrrolidin-2-yl]ethyl]-1,2-dihydrocyclopenta[c]carbazol-3-one?
9-acetyl-6-[2-[(2R)-1-methylpyrrolidin-2-yl]ethyl]-1,2-dihydrocyclopenta[c]carbazol-3-one has a molecular weight of 374.48 g/mol, XLogP of 4.61, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-acetyl-6-[2-[(2R)-1-methylpyrrolidin-2-yl]ethyl]-1,2-dihydrocyclopenta[c]carbazol-3-one is sourced from PubChem (CID 44519134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).