9-acetyl-6-[2-(propylamino)ethyl]-1,2-dihydrocyclopenta[c]carbazol-3-one;hydrochloride

C22H25ClN2O2 — CID 71179216

IUPAC9-acetyl-6-[2-(propylamino)ethyl]-1,2-dihydrocyclopenta[c]carbazol-3-one;hydrochloride
SMILESCCCNCCn1c2ccc(C(C)=O)cc2c2c3c(ccc21)C(=O)CC3.Cl
InChIInChI=1S/C22H24N2O2.ClH/c1-3-10-23-11-12-24-19-7-4-15(14(2)25)13-18(19)22-17-6-9-21(26)16(17)5-8-20(22)24;/h4-5,7-8,13,23H,3,6,9-12H2,1-2H3;1H
InChIKeyAMYVUGCUMUHKAW-UHFFFAOYSA-N
MW384.91 g/mol
LogP4.55
Rot. Bonds6

About 9-acetyl-6-[2-(propylamino)ethyl]-1,2-dihydrocyclopenta[c]carbazol-3-one;hydrochloride

9-acetyl-6-[2-(propylamino)ethyl]-1,2-dihydrocyclopenta[c]carbazol-3-one;hydrochloride (PubChem CID 71179216) has the molecular formula C22H25ClN2O2 and a molecular weight of 384.91 g/mol. Its IUPAC name is 9-acetyl-6-[2-(propylamino)ethyl]-1,2-dihydrocyclopenta[c]carbazol-3-one;hydrochloride.

Molecular Properties

Compound Name9-acetyl-6-[2-(propylamino)ethyl]-1,2-dihydrocyclopenta[c]carbazol-3-one;hydrochloride
PubChem CID71179216
Molecular FormulaC22H25ClN2O2
Molecular Weight384.91 g/mol
Exact Mass384.16
IUPAC Name9-acetyl-6-[2-(propylamino)ethyl]-1,2-dihydrocyclopenta[c]carbazol-3-one;hydrochloride
SMILESCCCNCCn1c2ccc(C(C)=O)cc2c2c3c(ccc21)C(=O)CC3.Cl
InChIInChI=1S/C22H24N2O2.ClH/c1-3-10-23-11-12-24-19-7-4-15(14(2)25)13-18(19)22-17-6-9-21(26)16(17)5-8-20(22)24;/h4-5,7-8,13,23H,3,6,9-12H2,1-2H3;1H
InChIKeyAMYVUGCUMUHKAW-UHFFFAOYSA-N
XLogP4.55
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.91
LogP ≤ 54.55
H-Bond Donors ≤ 51
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-[2-(propylamino)ethyl]-1,2-dihydrocyclopenta[c]carbazol-3-one;hydrochloride?
The IUPAC name of 9-acetyl-6-[2-(propylamino)ethyl]-1,2-dihydrocyclopenta[c]carbazol-3-one;hydrochloride (CID 71179216) is 9-acetyl-6-[2-(propylamino)ethyl]-1,2-dihydrocyclopenta[c]carbazol-3-one;hydrochloride.
What is the SMILES notation for 9-acetyl-6-[2-(propylamino)ethyl]-1,2-dihydrocyclopenta[c]carbazol-3-one;hydrochloride?
The canonical SMILES for 9-acetyl-6-[2-(propylamino)ethyl]-1,2-dihydrocyclopenta[c]carbazol-3-one;hydrochloride is CCCNCCn1c2ccc(C(C)=O)cc2c2c3c(ccc21)C(=O)CC3.Cl.
What is the InChIKey of 9-acetyl-6-[2-(propylamino)ethyl]-1,2-dihydrocyclopenta[c]carbazol-3-one;hydrochloride?
The InChIKey is AMYVUGCUMUHKAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O2.ClH/c1-3-10-23-11-12-24-19-7-4-15(14(2)25)13-18(19)22-17-6-9-21(26)16(17)5-8-20(22)24;/h4-5,7-8,13,23H,3,6,9-12H2,1-2H3;1H.
What are the key properties of 9-acetyl-6-[2-(propylamino)ethyl]-1,2-dihydrocyclopenta[c]carbazol-3-one;hydrochloride?
9-acetyl-6-[2-(propylamino)ethyl]-1,2-dihydrocyclopenta[c]carbazol-3-one;hydrochloride has a molecular weight of 384.91 g/mol, XLogP of 4.55, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-acetyl-6-[2-(propylamino)ethyl]-1,2-dihydrocyclopenta[c]carbazol-3-one;hydrochloride is sourced from PubChem (CID 71179216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).