(6aR,11bR)-7-benzyl-4-ethyl-3,5,6,6a-tetrahydro-1H-pyrrolo[2,3-d]carbazol-2-one

C23H24N2O — CID 11024394

IUPAC(6aR,11bR)-7-benzyl-4-ethyl-3,5,6,6a-tetrahydro-1H-pyrrolo[2,3-d]carbazol-2-one
SMILESCCC1=C2NC(=O)C[C@]23c2ccccc2N(Cc2ccccc2)[C@@H]3CC1
InChIInChI=1S/C23H24N2O/c1-2-17-12-13-20-23(14-21(26)24-22(17)23)18-10-6-7-11-19(18)25(20)15-16-8-4-3-5-9-16/h3-11,20H,2,12-15H2,1H3,(H,24,26)/t20-,23-/m1/s1
InChIKeyCMQMNGZRZWUKAF-NFBKMPQASA-N
MW344.46 g/mol
LogP4.29
Rot. Bonds3

About (6aR,11bR)-7-benzyl-4-ethyl-3,5,6,6a-tetrahydro-1H-pyrrolo[2,3-d]carbazol-2-one

(6aR,11bR)-7-benzyl-4-ethyl-3,5,6,6a-tetrahydro-1H-pyrrolo[2,3-d]carbazol-2-one (PubChem CID 11024394) has the molecular formula C23H24N2O and a molecular weight of 344.46 g/mol. Its IUPAC name is (6aR,11bR)-7-benzyl-4-ethyl-3,5,6,6a-tetrahydro-1H-pyrrolo[2,3-d]carbazol-2-one.

Molecular Properties

Compound Name(6aR,11bR)-7-benzyl-4-ethyl-3,5,6,6a-tetrahydro-1H-pyrrolo[2,3-d]carbazol-2-one
PubChem CID11024394
Molecular FormulaC23H24N2O
Molecular Weight344.46 g/mol
Exact Mass344.19
IUPAC Name(6aR,11bR)-7-benzyl-4-ethyl-3,5,6,6a-tetrahydro-1H-pyrrolo[2,3-d]carbazol-2-one
SMILESCCC1=C2NC(=O)C[C@]23c2ccccc2N(Cc2ccccc2)[C@@H]3CC1
InChIInChI=1S/C23H24N2O/c1-2-17-12-13-20-23(14-21(26)24-22(17)23)18-10-6-7-11-19(18)25(20)15-16-8-4-3-5-9-16/h3-11,20H,2,12-15H2,1H3,(H,24,26)/t20-,23-/m1/s1
InChIKeyCMQMNGZRZWUKAF-NFBKMPQASA-N
XLogP4.29
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (6aR,11bR)-7-benzyl-4-ethyl-3,5,6,6a-tetrahydro-1H-pyrrolo[2,3-d]carbazol-2-one?
The IUPAC name of (6aR,11bR)-7-benzyl-4-ethyl-3,5,6,6a-tetrahydro-1H-pyrrolo[2,3-d]carbazol-2-one (CID 11024394) is (6aR,11bR)-7-benzyl-4-ethyl-3,5,6,6a-tetrahydro-1H-pyrrolo[2,3-d]carbazol-2-one.
What is the SMILES notation for (6aR,11bR)-7-benzyl-4-ethyl-3,5,6,6a-tetrahydro-1H-pyrrolo[2,3-d]carbazol-2-one?
The canonical SMILES for (6aR,11bR)-7-benzyl-4-ethyl-3,5,6,6a-tetrahydro-1H-pyrrolo[2,3-d]carbazol-2-one is CCC1=C2NC(=O)C[C@]23c2ccccc2N(Cc2ccccc2)[C@@H]3CC1.
What is the InChIKey of (6aR,11bR)-7-benzyl-4-ethyl-3,5,6,6a-tetrahydro-1H-pyrrolo[2,3-d]carbazol-2-one?
The InChIKey is CMQMNGZRZWUKAF-NFBKMPQASA-N. The full InChI is InChI=1S/C23H24N2O/c1-2-17-12-13-20-23(14-21(26)24-22(17)23)18-10-6-7-11-19(18)25(20)15-16-8-4-3-5-9-16/h3-11,20H,2,12-15H2,1H3,(H,24,26)/t20-,23-/m1/s1.
What are the key properties of (6aR,11bR)-7-benzyl-4-ethyl-3,5,6,6a-tetrahydro-1H-pyrrolo[2,3-d]carbazol-2-one?
(6aR,11bR)-7-benzyl-4-ethyl-3,5,6,6a-tetrahydro-1H-pyrrolo[2,3-d]carbazol-2-one has a molecular weight of 344.46 g/mol, XLogP of 4.29, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6aR,11bR)-7-benzyl-4-ethyl-3,5,6,6a-tetrahydro-1H-pyrrolo[2,3-d]carbazol-2-one is sourced from PubChem (CID 11024394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).