9-acetyl-6-[2-(propan-2-ylamino)ethyl]-1,2-dihydrocyclopenta[c]carbazol-3-one

C22H24N2O2 — CID 45381553

IUPAC9-acetyl-6-[2-(propan-2-ylamino)ethyl]-1,2-dihydrocyclopenta[c]carbazol-3-one
SMILESCC(=O)c1ccc2c(c1)c1c3c(ccc1n2CCNC(C)C)C(=O)CC3
InChIInChI=1S/C22H24N2O2/c1-13(2)23-10-11-24-19-7-4-15(14(3)25)12-18(19)22-17-6-9-21(26)16(17)5-8-20(22)24/h4-5,7-8,12-13,23H,6,9-11H2,1-3H3
InChIKeyXPNNVTKDIOKPFR-UHFFFAOYSA-N
MW348.45 g/mol
LogP4.12
Rot. Bonds5

About 9-acetyl-6-[2-(propan-2-ylamino)ethyl]-1,2-dihydrocyclopenta[c]carbazol-3-one

9-acetyl-6-[2-(propan-2-ylamino)ethyl]-1,2-dihydrocyclopenta[c]carbazol-3-one (PubChem CID 45381553) has the molecular formula C22H24N2O2 and a molecular weight of 348.45 g/mol. Its IUPAC name is 9-acetyl-6-[2-(propan-2-ylamino)ethyl]-1,2-dihydrocyclopenta[c]carbazol-3-one.

Molecular Properties

Compound Name9-acetyl-6-[2-(propan-2-ylamino)ethyl]-1,2-dihydrocyclopenta[c]carbazol-3-one
PubChem CID45381553
Molecular FormulaC22H24N2O2
Molecular Weight348.45 g/mol
Exact Mass348.18
IUPAC Name9-acetyl-6-[2-(propan-2-ylamino)ethyl]-1,2-dihydrocyclopenta[c]carbazol-3-one
SMILESCC(=O)c1ccc2c(c1)c1c3c(ccc1n2CCNC(C)C)C(=O)CC3
InChIInChI=1S/C22H24N2O2/c1-13(2)23-10-11-24-19-7-4-15(14(3)25)12-18(19)22-17-6-9-21(26)16(17)5-8-20(22)24/h4-5,7-8,12-13,23H,6,9-11H2,1-3H3
InChIKeyXPNNVTKDIOKPFR-UHFFFAOYSA-N
XLogP4.12
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 9-acetyl-6-[2-(propan-2-ylamino)ethyl]-1,2-dihydrocyclopenta[c]carbazol-3-one?
The IUPAC name of 9-acetyl-6-[2-(propan-2-ylamino)ethyl]-1,2-dihydrocyclopenta[c]carbazol-3-one (CID 45381553) is 9-acetyl-6-[2-(propan-2-ylamino)ethyl]-1,2-dihydrocyclopenta[c]carbazol-3-one.
What is the SMILES notation for 9-acetyl-6-[2-(propan-2-ylamino)ethyl]-1,2-dihydrocyclopenta[c]carbazol-3-one?
The canonical SMILES for 9-acetyl-6-[2-(propan-2-ylamino)ethyl]-1,2-dihydrocyclopenta[c]carbazol-3-one is CC(=O)c1ccc2c(c1)c1c3c(ccc1n2CCNC(C)C)C(=O)CC3.
What is the InChIKey of 9-acetyl-6-[2-(propan-2-ylamino)ethyl]-1,2-dihydrocyclopenta[c]carbazol-3-one?
The InChIKey is XPNNVTKDIOKPFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O2/c1-13(2)23-10-11-24-19-7-4-15(14(3)25)12-18(19)22-17-6-9-21(26)16(17)5-8-20(22)24/h4-5,7-8,12-13,23H,6,9-11H2,1-3H3.
What are the key properties of 9-acetyl-6-[2-(propan-2-ylamino)ethyl]-1,2-dihydrocyclopenta[c]carbazol-3-one?
9-acetyl-6-[2-(propan-2-ylamino)ethyl]-1,2-dihydrocyclopenta[c]carbazol-3-one has a molecular weight of 348.45 g/mol, XLogP of 4.12, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-acetyl-6-[2-(propan-2-ylamino)ethyl]-1,2-dihydrocyclopenta[c]carbazol-3-one is sourced from PubChem (CID 45381553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).