9-acetyl-6-[4-(dimethylamino)butyl]-1,2-dihydrocyclopenta[c]carbazol-3-one

C23H26N2O2 — CID 118001483

IUPAC9-acetyl-6-[4-(dimethylamino)butyl]-1,2-dihydrocyclopenta[c]carbazol-3-one
SMILESCC(=O)c1ccc2c(c1)c1c3c(ccc1n2CCCCN(C)C)C(=O)CC3
InChIInChI=1S/C23H26N2O2/c1-15(26)16-6-9-20-19(14-16)23-18-8-11-22(27)17(18)7-10-21(23)25(20)13-5-4-12-24(2)3/h6-7,9-10,14H,4-5,8,11-13H2,1-3H3
InChIKeyJYBWXZMMKOEULA-UHFFFAOYSA-N
MW362.47 g/mol
LogP4.47
Rot. Bonds6

About 9-acetyl-6-[4-(dimethylamino)butyl]-1,2-dihydrocyclopenta[c]carbazol-3-one

9-acetyl-6-[4-(dimethylamino)butyl]-1,2-dihydrocyclopenta[c]carbazol-3-one (PubChem CID 118001483) has the molecular formula C23H26N2O2 and a molecular weight of 362.47 g/mol. Its IUPAC name is 9-acetyl-6-[4-(dimethylamino)butyl]-1,2-dihydrocyclopenta[c]carbazol-3-one.

Molecular Properties

Compound Name9-acetyl-6-[4-(dimethylamino)butyl]-1,2-dihydrocyclopenta[c]carbazol-3-one
PubChem CID118001483
Molecular FormulaC23H26N2O2
Molecular Weight362.47 g/mol
Exact Mass362.20
IUPAC Name9-acetyl-6-[4-(dimethylamino)butyl]-1,2-dihydrocyclopenta[c]carbazol-3-one
SMILESCC(=O)c1ccc2c(c1)c1c3c(ccc1n2CCCCN(C)C)C(=O)CC3
InChIInChI=1S/C23H26N2O2/c1-15(26)16-6-9-20-19(14-16)23-18-8-11-22(27)17(18)7-10-21(23)25(20)13-5-4-12-24(2)3/h6-7,9-10,14H,4-5,8,11-13H2,1-3H3
InChIKeyJYBWXZMMKOEULA-UHFFFAOYSA-N
XLogP4.47
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 9-acetyl-6-[4-(dimethylamino)butyl]-1,2-dihydrocyclopenta[c]carbazol-3-one?
The IUPAC name of 9-acetyl-6-[4-(dimethylamino)butyl]-1,2-dihydrocyclopenta[c]carbazol-3-one (CID 118001483) is 9-acetyl-6-[4-(dimethylamino)butyl]-1,2-dihydrocyclopenta[c]carbazol-3-one.
What is the SMILES notation for 9-acetyl-6-[4-(dimethylamino)butyl]-1,2-dihydrocyclopenta[c]carbazol-3-one?
The canonical SMILES for 9-acetyl-6-[4-(dimethylamino)butyl]-1,2-dihydrocyclopenta[c]carbazol-3-one is CC(=O)c1ccc2c(c1)c1c3c(ccc1n2CCCCN(C)C)C(=O)CC3.
What is the InChIKey of 9-acetyl-6-[4-(dimethylamino)butyl]-1,2-dihydrocyclopenta[c]carbazol-3-one?
The InChIKey is JYBWXZMMKOEULA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O2/c1-15(26)16-6-9-20-19(14-16)23-18-8-11-22(27)17(18)7-10-21(23)25(20)13-5-4-12-24(2)3/h6-7,9-10,14H,4-5,8,11-13H2,1-3H3.
What are the key properties of 9-acetyl-6-[4-(dimethylamino)butyl]-1,2-dihydrocyclopenta[c]carbazol-3-one?
9-acetyl-6-[4-(dimethylamino)butyl]-1,2-dihydrocyclopenta[c]carbazol-3-one has a molecular weight of 362.47 g/mol, XLogP of 4.47, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-acetyl-6-[4-(dimethylamino)butyl]-1,2-dihydrocyclopenta[c]carbazol-3-one is sourced from PubChem (CID 118001483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).