5-cyclobutyl-2-[2-(dimethylamino)ethyl]-9-hydroxy-6H-pyrrolo[3,4-c]carbazole-1,3-dione

C22H23N3O3 — CID 19808768

IUPAC5-cyclobutyl-2-[2-(dimethylamino)ethyl]-9-hydroxy-6H-pyrrolo[3,4-c]carbazole-1,3-dione
SMILESCN(C)CCN1C(=O)c2cc(C3CCC3)c3[nH]c4ccc(O)cc4c3c2C1=O
InChIInChI=1S/C22H23N3O3/c1-24(2)8-9-25-21(27)16-11-14(12-4-3-5-12)20-18(19(16)22(25)28)15-10-13(26)6-7-17(15)23-20/h6-7,10-12,23,26H,3-5,8-9H2,1-2H3
InChIKeyLCUWEOZAXJTOMT-UHFFFAOYSA-N
MW377.44 g/mol
LogP3.45
Rot. Bonds4

About 5-cyclobutyl-2-[2-(dimethylamino)ethyl]-9-hydroxy-6H-pyrrolo[3,4-c]carbazole-1,3-dione

5-cyclobutyl-2-[2-(dimethylamino)ethyl]-9-hydroxy-6H-pyrrolo[3,4-c]carbazole-1,3-dione (PubChem CID 19808768) has the molecular formula C22H23N3O3 and a molecular weight of 377.44 g/mol. Its IUPAC name is 5-cyclobutyl-2-[2-(dimethylamino)ethyl]-9-hydroxy-6H-pyrrolo[3,4-c]carbazole-1,3-dione.

Molecular Properties

Compound Name5-cyclobutyl-2-[2-(dimethylamino)ethyl]-9-hydroxy-6H-pyrrolo[3,4-c]carbazole-1,3-dione
PubChem CID19808768
Molecular FormulaC22H23N3O3
Molecular Weight377.44 g/mol
Exact Mass377.17
IUPAC Name5-cyclobutyl-2-[2-(dimethylamino)ethyl]-9-hydroxy-6H-pyrrolo[3,4-c]carbazole-1,3-dione
SMILESCN(C)CCN1C(=O)c2cc(C3CCC3)c3[nH]c4ccc(O)cc4c3c2C1=O
InChIInChI=1S/C22H23N3O3/c1-24(2)8-9-25-21(27)16-11-14(12-4-3-5-12)20-18(19(16)22(25)28)15-10-13(26)6-7-17(15)23-20/h6-7,10-12,23,26H,3-5,8-9H2,1-2H3
InChIKeyLCUWEOZAXJTOMT-UHFFFAOYSA-N
XLogP3.45
TPSA76.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-cyclobutyl-2-[2-(dimethylamino)ethyl]-9-hydroxy-6H-pyrrolo[3,4-c]carbazole-1,3-dione?
The IUPAC name of 5-cyclobutyl-2-[2-(dimethylamino)ethyl]-9-hydroxy-6H-pyrrolo[3,4-c]carbazole-1,3-dione (CID 19808768) is 5-cyclobutyl-2-[2-(dimethylamino)ethyl]-9-hydroxy-6H-pyrrolo[3,4-c]carbazole-1,3-dione.
What is the SMILES notation for 5-cyclobutyl-2-[2-(dimethylamino)ethyl]-9-hydroxy-6H-pyrrolo[3,4-c]carbazole-1,3-dione?
The canonical SMILES for 5-cyclobutyl-2-[2-(dimethylamino)ethyl]-9-hydroxy-6H-pyrrolo[3,4-c]carbazole-1,3-dione is CN(C)CCN1C(=O)c2cc(C3CCC3)c3[nH]c4ccc(O)cc4c3c2C1=O.
What is the InChIKey of 5-cyclobutyl-2-[2-(dimethylamino)ethyl]-9-hydroxy-6H-pyrrolo[3,4-c]carbazole-1,3-dione?
The InChIKey is LCUWEOZAXJTOMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3/c1-24(2)8-9-25-21(27)16-11-14(12-4-3-5-12)20-18(19(16)22(25)28)15-10-13(26)6-7-17(15)23-20/h6-7,10-12,23,26H,3-5,8-9H2,1-2H3.
What are the key properties of 5-cyclobutyl-2-[2-(dimethylamino)ethyl]-9-hydroxy-6H-pyrrolo[3,4-c]carbazole-1,3-dione?
5-cyclobutyl-2-[2-(dimethylamino)ethyl]-9-hydroxy-6H-pyrrolo[3,4-c]carbazole-1,3-dione has a molecular weight of 377.44 g/mol, XLogP of 3.45, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclobutyl-2-[2-(dimethylamino)ethyl]-9-hydroxy-6H-pyrrolo[3,4-c]carbazole-1,3-dione is sourced from PubChem (CID 19808768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).