6-(3-aminopropyl)-4,9-dimethylpyrrolo[3,4-c]carbazole-1,3-dione

C19H19N3O2 — CID 6540255

IUPAC6-(3-aminopropyl)-4,9-dimethylpyrrolo[3,4-c]carbazole-1,3-dione
SMILESCc1ccc2c(c1)c1c3c(c(C)cc1n2CCCN)C(=O)NC3=O
InChIInChI=1S/C19H19N3O2/c1-10-4-5-13-12(8-10)16-14(22(13)7-3-6-20)9-11(2)15-17(16)19(24)21-18(15)23/h4-5,8-9H,3,6-7,20H2,1-2H3,(H,21,23,24)
InChIKeyPKPNSCZPIWCHMW-UHFFFAOYSA-N
MW321.38 g/mol
LogP2.64
Rot. Bonds3

About 6-(3-aminopropyl)-4,9-dimethylpyrrolo[3,4-c]carbazole-1,3-dione

6-(3-aminopropyl)-4,9-dimethylpyrrolo[3,4-c]carbazole-1,3-dione (PubChem CID 6540255) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is 6-(3-aminopropyl)-4,9-dimethylpyrrolo[3,4-c]carbazole-1,3-dione.

Molecular Properties

Compound Name6-(3-aminopropyl)-4,9-dimethylpyrrolo[3,4-c]carbazole-1,3-dione
PubChem CID6540255
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC Name6-(3-aminopropyl)-4,9-dimethylpyrrolo[3,4-c]carbazole-1,3-dione
SMILESCc1ccc2c(c1)c1c3c(c(C)cc1n2CCCN)C(=O)NC3=O
InChIInChI=1S/C19H19N3O2/c1-10-4-5-13-12(8-10)16-14(22(13)7-3-6-20)9-11(2)15-17(16)19(24)21-18(15)23/h4-5,8-9H,3,6-7,20H2,1-2H3,(H,21,23,24)
InChIKeyPKPNSCZPIWCHMW-UHFFFAOYSA-N
XLogP2.64
TPSA77.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 52.64
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 6-(3-aminopropyl)-4,9-dimethylpyrrolo[3,4-c]carbazole-1,3-dione?
The IUPAC name of 6-(3-aminopropyl)-4,9-dimethylpyrrolo[3,4-c]carbazole-1,3-dione (CID 6540255) is 6-(3-aminopropyl)-4,9-dimethylpyrrolo[3,4-c]carbazole-1,3-dione.
What is the SMILES notation for 6-(3-aminopropyl)-4,9-dimethylpyrrolo[3,4-c]carbazole-1,3-dione?
The canonical SMILES for 6-(3-aminopropyl)-4,9-dimethylpyrrolo[3,4-c]carbazole-1,3-dione is Cc1ccc2c(c1)c1c3c(c(C)cc1n2CCCN)C(=O)NC3=O.
What is the InChIKey of 6-(3-aminopropyl)-4,9-dimethylpyrrolo[3,4-c]carbazole-1,3-dione?
The InChIKey is PKPNSCZPIWCHMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2/c1-10-4-5-13-12(8-10)16-14(22(13)7-3-6-20)9-11(2)15-17(16)19(24)21-18(15)23/h4-5,8-9H,3,6-7,20H2,1-2H3,(H,21,23,24).
What are the key properties of 6-(3-aminopropyl)-4,9-dimethylpyrrolo[3,4-c]carbazole-1,3-dione?
6-(3-aminopropyl)-4,9-dimethylpyrrolo[3,4-c]carbazole-1,3-dione has a molecular weight of 321.38 g/mol, XLogP of 2.64, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-aminopropyl)-4,9-dimethylpyrrolo[3,4-c]carbazole-1,3-dione is sourced from PubChem (CID 6540255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).