3-[(3aR,10cS)-1,3-dioxo-4,5,6,10c-tetrahydro-3aH-pyrrolo[3,4-c]carbazol-2-yl]propyl-dimethylazanium

C19H24N3O2+ — CID 7410231

IUPAC3-[(3aR,10cS)-1,3-dioxo-4,5,6,10c-tetrahydro-3aH-pyrrolo[3,4-c]carbazol-2-yl]propyl-dimethylazanium
SMILESC[NH+](C)CCCN1C(=O)[C@@H]2c3c([nH]c4ccccc34)CC[C@H]2C1=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/p+1/t13-,17+/m1/s1
InChIKeyKZMAERTZQFDECQ-DYVFJYSZSA-O
MW326.42 g/mol
LogP0.72
Rot. Bonds4

About 3-[(3aR,10cS)-1,3-dioxo-4,5,6,10c-tetrahydro-3aH-pyrrolo[3,4-c]carbazol-2-yl]propyl-dimethylazanium

3-[(3aR,10cS)-1,3-dioxo-4,5,6,10c-tetrahydro-3aH-pyrrolo[3,4-c]carbazol-2-yl]propyl-dimethylazanium (PubChem CID 7410231) has the molecular formula C19H24N3O2+ and a molecular weight of 326.42 g/mol. Its IUPAC name is 3-[(3aR,10cS)-1,3-dioxo-4,5,6,10c-tetrahydro-3aH-pyrrolo[3,4-c]carbazol-2-yl]propyl-dimethylazanium.

Molecular Properties

Compound Name3-[(3aR,10cS)-1,3-dioxo-4,5,6,10c-tetrahydro-3aH-pyrrolo[3,4-c]carbazol-2-yl]propyl-dimethylazanium
PubChem CID7410231
Molecular FormulaC19H24N3O2+
Molecular Weight326.42 g/mol
Exact Mass326.19
IUPAC Name3-[(3aR,10cS)-1,3-dioxo-4,5,6,10c-tetrahydro-3aH-pyrrolo[3,4-c]carbazol-2-yl]propyl-dimethylazanium
SMILESC[NH+](C)CCCN1C(=O)[C@@H]2c3c([nH]c4ccccc34)CC[C@H]2C1=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/p+1/t13-,17+/m1/s1
InChIKeyKZMAERTZQFDECQ-DYVFJYSZSA-O
XLogP0.72
TPSA57.61 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 3-[(3aR,10cS)-1,3-dioxo-4,5,6,10c-tetrahydro-3aH-pyrrolo[3,4-c]carbazol-2-yl]propyl-dimethylazanium?
The IUPAC name of 3-[(3aR,10cS)-1,3-dioxo-4,5,6,10c-tetrahydro-3aH-pyrrolo[3,4-c]carbazol-2-yl]propyl-dimethylazanium (CID 7410231) is 3-[(3aR,10cS)-1,3-dioxo-4,5,6,10c-tetrahydro-3aH-pyrrolo[3,4-c]carbazol-2-yl]propyl-dimethylazanium.
What is the SMILES notation for 3-[(3aR,10cS)-1,3-dioxo-4,5,6,10c-tetrahydro-3aH-pyrrolo[3,4-c]carbazol-2-yl]propyl-dimethylazanium?
The canonical SMILES for 3-[(3aR,10cS)-1,3-dioxo-4,5,6,10c-tetrahydro-3aH-pyrrolo[3,4-c]carbazol-2-yl]propyl-dimethylazanium is C[NH+](C)CCCN1C(=O)[C@@H]2c3c([nH]c4ccccc34)CC[C@H]2C1=O.
What is the InChIKey of 3-[(3aR,10cS)-1,3-dioxo-4,5,6,10c-tetrahydro-3aH-pyrrolo[3,4-c]carbazol-2-yl]propyl-dimethylazanium?
The InChIKey is KZMAERTZQFDECQ-DYVFJYSZSA-O. 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/p+1/t13-,17+/m1/s1.
What are the key properties of 3-[(3aR,10cS)-1,3-dioxo-4,5,6,10c-tetrahydro-3aH-pyrrolo[3,4-c]carbazol-2-yl]propyl-dimethylazanium?
3-[(3aR,10cS)-1,3-dioxo-4,5,6,10c-tetrahydro-3aH-pyrrolo[3,4-c]carbazol-2-yl]propyl-dimethylazanium has a molecular weight of 326.42 g/mol, XLogP of 0.72, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3aR,10cS)-1,3-dioxo-4,5,6,10c-tetrahydro-3aH-pyrrolo[3,4-c]carbazol-2-yl]propyl-dimethylazanium is sourced from PubChem (CID 7410231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).