6-[2-(diethylamino)ethyl]-2-methyl-3a,10,10a,10c-tetrahydro-1H-pyrrolo[3,4-c]carbazol-3-one

C21H29N3O — CID 70900637

IUPAC6-[2-(diethylamino)ethyl]-2-methyl-3a,10,10a,10c-tetrahydro-1H-pyrrolo[3,4-c]carbazol-3-one
SMILESCCN(CC)CCN1C2=CC=CCC2C2=C1C=CC1C(=O)N(C)CC21
InChIInChI=1S/C21H29N3O/c1-4-23(5-2)12-13-24-18-9-7-6-8-16(18)20-17-14-22(3)21(25)15(17)10-11-19(20)24/h6-7,9-11,15-17H,4-5,8,12-14H2,1-3H3
InChIKeyIBZDPYAMAVMOEU-UHFFFAOYSA-N
MW339.48 g/mol
LogP2.63
Rot. Bonds5

About 6-[2-(diethylamino)ethyl]-2-methyl-3a,10,10a,10c-tetrahydro-1H-pyrrolo[3,4-c]carbazol-3-one

6-[2-(diethylamino)ethyl]-2-methyl-3a,10,10a,10c-tetrahydro-1H-pyrrolo[3,4-c]carbazol-3-one (PubChem CID 70900637) has the molecular formula C21H29N3O and a molecular weight of 339.48 g/mol. Its IUPAC name is 6-[2-(diethylamino)ethyl]-2-methyl-3a,10,10a,10c-tetrahydro-1H-pyrrolo[3,4-c]carbazol-3-one.

Molecular Properties

Compound Name6-[2-(diethylamino)ethyl]-2-methyl-3a,10,10a,10c-tetrahydro-1H-pyrrolo[3,4-c]carbazol-3-one
PubChem CID70900637
Molecular FormulaC21H29N3O
Molecular Weight339.48 g/mol
Exact Mass339.23
IUPAC Name6-[2-(diethylamino)ethyl]-2-methyl-3a,10,10a,10c-tetrahydro-1H-pyrrolo[3,4-c]carbazol-3-one
SMILESCCN(CC)CCN1C2=CC=CCC2C2=C1C=CC1C(=O)N(C)CC21
InChIInChI=1S/C21H29N3O/c1-4-23(5-2)12-13-24-18-9-7-6-8-16(18)20-17-14-22(3)21(25)15(17)10-11-19(20)24/h6-7,9-11,15-17H,4-5,8,12-14H2,1-3H3
InChIKeyIBZDPYAMAVMOEU-UHFFFAOYSA-N
XLogP2.63
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.48
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(diethylamino)ethyl]-2-methyl-3a,10,10a,10c-tetrahydro-1H-pyrrolo[3,4-c]carbazol-3-one?
The IUPAC name of 6-[2-(diethylamino)ethyl]-2-methyl-3a,10,10a,10c-tetrahydro-1H-pyrrolo[3,4-c]carbazol-3-one (CID 70900637) is 6-[2-(diethylamino)ethyl]-2-methyl-3a,10,10a,10c-tetrahydro-1H-pyrrolo[3,4-c]carbazol-3-one.
What is the SMILES notation for 6-[2-(diethylamino)ethyl]-2-methyl-3a,10,10a,10c-tetrahydro-1H-pyrrolo[3,4-c]carbazol-3-one?
The canonical SMILES for 6-[2-(diethylamino)ethyl]-2-methyl-3a,10,10a,10c-tetrahydro-1H-pyrrolo[3,4-c]carbazol-3-one is CCN(CC)CCN1C2=CC=CCC2C2=C1C=CC1C(=O)N(C)CC21.
What is the InChIKey of 6-[2-(diethylamino)ethyl]-2-methyl-3a,10,10a,10c-tetrahydro-1H-pyrrolo[3,4-c]carbazol-3-one?
The InChIKey is IBZDPYAMAVMOEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O/c1-4-23(5-2)12-13-24-18-9-7-6-8-16(18)20-17-14-22(3)21(25)15(17)10-11-19(20)24/h6-7,9-11,15-17H,4-5,8,12-14H2,1-3H3.
What are the key properties of 6-[2-(diethylamino)ethyl]-2-methyl-3a,10,10a,10c-tetrahydro-1H-pyrrolo[3,4-c]carbazol-3-one?
6-[2-(diethylamino)ethyl]-2-methyl-3a,10,10a,10c-tetrahydro-1H-pyrrolo[3,4-c]carbazol-3-one has a molecular weight of 339.48 g/mol, XLogP of 2.63, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(diethylamino)ethyl]-2-methyl-3a,10,10a,10c-tetrahydro-1H-pyrrolo[3,4-c]carbazol-3-one is sourced from PubChem (CID 70900637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).