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

C19H23N3O2 — CID 766683

IUPAC(3aR,10cR)-2-[3-(dimethylamino)propyl]-4,5,6,10c-tetrahydro-3aH-pyrrolo[3,4-c]carbazole-1,3-dione
SMILESCN(C)CCCN1C(=O)[C@@H]2CCc3[nH]c4ccccc4c3[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/t13-,17-/m1/s1
InChIKeyKZMAERTZQFDECQ-CXAGYDPISA-N
MW325.41 g/mol
LogP2.13
Rot. Bonds4

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

(3aR,10cR)-2-[3-(dimethylamino)propyl]-4,5,6,10c-tetrahydro-3aH-pyrrolo[3,4-c]carbazole-1,3-dione (PubChem CID 766683) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is (3aR,10cR)-2-[3-(dimethylamino)propyl]-4,5,6,10c-tetrahydro-3aH-pyrrolo[3,4-c]carbazole-1,3-dione.

Molecular Properties

Compound Name(3aR,10cR)-2-[3-(dimethylamino)propyl]-4,5,6,10c-tetrahydro-3aH-pyrrolo[3,4-c]carbazole-1,3-dione
PubChem CID766683
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name(3aR,10cR)-2-[3-(dimethylamino)propyl]-4,5,6,10c-tetrahydro-3aH-pyrrolo[3,4-c]carbazole-1,3-dione
SMILESCN(C)CCCN1C(=O)[C@@H]2CCc3[nH]c4ccccc4c3[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/t13-,17-/m1/s1
InChIKeyKZMAERTZQFDECQ-CXAGYDPISA-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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Related Compounds

2-[3-(dimethylamino)propyl]-4,5,6,10c-tetrahydro-3aH-pyrrolo[3,4-c]carbazole-1,3-dione
CID 3130166
(3aS,10cS)-2-[2-(dimethylamino)ethyl]-4,5,6,10c-tetrahydro-3aH-pyrrolo[3,4-c]carbazole-1,3-dione
CID 11872765
(3aR,10cR)-2-[2-(dimethylamino)ethyl]-4,5,6,10c-tetrahydro-3aH-pyrrolo[3,4-c]carbazole-1,3-dione
CID 928621
3-[(3aR,10cS)-1,3-dioxo-4,5,6,10c-tetrahydro-3aH-pyrrolo[3,4-c]carbazol-2-yl]propyl-dimethylazanium
CID 7410231
2-(2-pyrrolidin-1-ylethyl)-4,5,6,10c-tetrahydro-3aH-pyrrolo[3,4-c]carbazole-1,3-dione
CID 3737862
1-cyclobutyl-1,2,3,4-tetrahydrocyclopenta[b]indole
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CID 177117724
2-[4-[(1R,12S)-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3,5,7-tetraen-15-yl]butyl]isoindole-1,3-dione
CID 10250334
2-[7-(dimethylamino)heptyl]isoindole-1,3-dione
CID 139959528
1-undecyl-1,2,3,4-tetrahydrocyclopenta[b]indole
CID 173177063
(3R,4R)-4-methyl-2,3,4,9-tetrahydro-1H-carbazole-3-carboxylic acid
CID 838888
4-[2-(dimethylamino)ethyl]-4,14-diazapentacyclo[11.7.0.02,6.07,12.015,20]icosa-1(13),2(6),7,9,11,15,17,19-octaene-3,5-dione
CID 11646133

Frequently Asked Questions

What is the IUPAC name of (3aR,10cR)-2-[3-(dimethylamino)propyl]-4,5,6,10c-tetrahydro-3aH-pyrrolo[3,4-c]carbazole-1,3-dione?
The IUPAC name of (3aR,10cR)-2-[3-(dimethylamino)propyl]-4,5,6,10c-tetrahydro-3aH-pyrrolo[3,4-c]carbazole-1,3-dione (CID 766683) is (3aR,10cR)-2-[3-(dimethylamino)propyl]-4,5,6,10c-tetrahydro-3aH-pyrrolo[3,4-c]carbazole-1,3-dione.
What is the SMILES notation for (3aR,10cR)-2-[3-(dimethylamino)propyl]-4,5,6,10c-tetrahydro-3aH-pyrrolo[3,4-c]carbazole-1,3-dione?
The canonical SMILES for (3aR,10cR)-2-[3-(dimethylamino)propyl]-4,5,6,10c-tetrahydro-3aH-pyrrolo[3,4-c]carbazole-1,3-dione is CN(C)CCCN1C(=O)[C@@H]2CCc3[nH]c4ccccc4c3[C@@H]2C1=O.
What is the InChIKey of (3aR,10cR)-2-[3-(dimethylamino)propyl]-4,5,6,10c-tetrahydro-3aH-pyrrolo[3,4-c]carbazole-1,3-dione?
The InChIKey is KZMAERTZQFDECQ-CXAGYDPISA-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/t13-,17-/m1/s1.
What are the key properties of (3aR,10cR)-2-[3-(dimethylamino)propyl]-4,5,6,10c-tetrahydro-3aH-pyrrolo[3,4-c]carbazole-1,3-dione?
(3aR,10cR)-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 (3aR,10cR)-2-[3-(dimethylamino)propyl]-4,5,6,10c-tetrahydro-3aH-pyrrolo[3,4-c]carbazole-1,3-dione is sourced from PubChem (CID 766683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).