2-[3-(dimethylamino)propyl]-4,5,6,10c-tetrahydro-3aH-pyrrolo[3,4-c]carbazole-1,3-dione

C19H23N3O2 — CID 3130166

IUPAC2-[3-(dimethylamino)propyl]-4,5,6,10c-tetrahydro-3aH-pyrrolo[3,4-c]carbazole-1,3-dione
SMILESCN(C)CCCN1C(=O)C2CCc3[nH]c4ccccc4c3C2C1=O
InChIInChI=1S/C19H23N3O2/c1-21(2)10-5-11-22-18(23)13-8-9-15-16(17(13)19(22)24)12-6-3-4-7-14(12)20-15/h3-4,6-7,13,17,20H,5,8-11H2,1-2H3
InChIKeyKZMAERTZQFDECQ-UHFFFAOYSA-N
MW325.41 g/mol
LogP2.13
Rot. Bonds4

About 2-[3-(dimethylamino)propyl]-4,5,6,10c-tetrahydro-3aH-pyrrolo[3,4-c]carbazole-1,3-dione

2-[3-(dimethylamino)propyl]-4,5,6,10c-tetrahydro-3aH-pyrrolo[3,4-c]carbazole-1,3-dione (PubChem CID 3130166) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is 2-[3-(dimethylamino)propyl]-4,5,6,10c-tetrahydro-3aH-pyrrolo[3,4-c]carbazole-1,3-dione.

Molecular Properties

Compound Name2-[3-(dimethylamino)propyl]-4,5,6,10c-tetrahydro-3aH-pyrrolo[3,4-c]carbazole-1,3-dione
PubChem CID3130166
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name2-[3-(dimethylamino)propyl]-4,5,6,10c-tetrahydro-3aH-pyrrolo[3,4-c]carbazole-1,3-dione
SMILESCN(C)CCCN1C(=O)C2CCc3[nH]c4ccccc4c3C2C1=O
InChIInChI=1S/C19H23N3O2/c1-21(2)10-5-11-22-18(23)13-8-9-15-16(17(13)19(22)24)12-6-3-4-7-14(12)20-15/h3-4,6-7,13,17,20H,5,8-11H2,1-2H3
InChIKeyKZMAERTZQFDECQ-UHFFFAOYSA-N
XLogP2.13
TPSA56.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(dimethylamino)propyl]-4,5,6,10c-tetrahydro-3aH-pyrrolo[3,4-c]carbazole-1,3-dione?
The IUPAC name of 2-[3-(dimethylamino)propyl]-4,5,6,10c-tetrahydro-3aH-pyrrolo[3,4-c]carbazole-1,3-dione (CID 3130166) is 2-[3-(dimethylamino)propyl]-4,5,6,10c-tetrahydro-3aH-pyrrolo[3,4-c]carbazole-1,3-dione.
What is the SMILES notation for 2-[3-(dimethylamino)propyl]-4,5,6,10c-tetrahydro-3aH-pyrrolo[3,4-c]carbazole-1,3-dione?
The canonical SMILES for 2-[3-(dimethylamino)propyl]-4,5,6,10c-tetrahydro-3aH-pyrrolo[3,4-c]carbazole-1,3-dione is CN(C)CCCN1C(=O)C2CCc3[nH]c4ccccc4c3C2C1=O.
What is the InChIKey of 2-[3-(dimethylamino)propyl]-4,5,6,10c-tetrahydro-3aH-pyrrolo[3,4-c]carbazole-1,3-dione?
The InChIKey is KZMAERTZQFDECQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-21(2)10-5-11-22-18(23)13-8-9-15-16(17(13)19(22)24)12-6-3-4-7-14(12)20-15/h3-4,6-7,13,17,20H,5,8-11H2,1-2H3.
What are the key properties of 2-[3-(dimethylamino)propyl]-4,5,6,10c-tetrahydro-3aH-pyrrolo[3,4-c]carbazole-1,3-dione?
2-[3-(dimethylamino)propyl]-4,5,6,10c-tetrahydro-3aH-pyrrolo[3,4-c]carbazole-1,3-dione has a molecular weight of 325.41 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(dimethylamino)propyl]-4,5,6,10c-tetrahydro-3aH-pyrrolo[3,4-c]carbazole-1,3-dione is sourced from PubChem (CID 3130166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).