(6aR,11bS)-7-acetyl-3-prop-2-enyl-5,6a-dihydro-1H-pyrrolo[2,3-d]carbazole-2,6-dione

C19H18N2O3 — CID 11232499

IUPAC(6aR,11bS)-7-acetyl-3-prop-2-enyl-5,6a-dihydro-1H-pyrrolo[2,3-d]carbazole-2,6-dione
SMILESC=CCN1C(=O)C[C@@]23C1=CCC(=O)[C@@H]2N(C(C)=O)c1ccccc13
InChIInChI=1S/C19H18N2O3/c1-3-10-20-16-9-8-15(23)18-19(16,11-17(20)24)13-6-4-5-7-14(13)21(18)12(2)22/h3-7,9,18H,1,8,10-11H2,2H3/t18-,19+/m0/s1
InChIKeyMOHCEZRWPPFZAO-RBUKOAKNSA-N
MW322.36 g/mol
LogP1.93
Rot. Bonds2

About (6aR,11bS)-7-acetyl-3-prop-2-enyl-5,6a-dihydro-1H-pyrrolo[2,3-d]carbazole-2,6-dione

(6aR,11bS)-7-acetyl-3-prop-2-enyl-5,6a-dihydro-1H-pyrrolo[2,3-d]carbazole-2,6-dione (PubChem CID 11232499) has the molecular formula C19H18N2O3 and a molecular weight of 322.36 g/mol. Its IUPAC name is (6aR,11bS)-7-acetyl-3-prop-2-enyl-5,6a-dihydro-1H-pyrrolo[2,3-d]carbazole-2,6-dione.

Molecular Properties

Compound Name(6aR,11bS)-7-acetyl-3-prop-2-enyl-5,6a-dihydro-1H-pyrrolo[2,3-d]carbazole-2,6-dione
PubChem CID11232499
Molecular FormulaC19H18N2O3
Molecular Weight322.36 g/mol
Exact Mass322.13
IUPAC Name(6aR,11bS)-7-acetyl-3-prop-2-enyl-5,6a-dihydro-1H-pyrrolo[2,3-d]carbazole-2,6-dione
SMILESC=CCN1C(=O)C[C@@]23C1=CCC(=O)[C@@H]2N(C(C)=O)c1ccccc13
InChIInChI=1S/C19H18N2O3/c1-3-10-20-16-9-8-15(23)18-19(16,11-17(20)24)13-6-4-5-7-14(13)21(18)12(2)22/h3-7,9,18H,1,8,10-11H2,2H3/t18-,19+/m0/s1
InChIKeyMOHCEZRWPPFZAO-RBUKOAKNSA-N
XLogP1.93
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (6aR,11bS)-7-acetyl-3-prop-2-enyl-5,6a-dihydro-1H-pyrrolo[2,3-d]carbazole-2,6-dione?
The IUPAC name of (6aR,11bS)-7-acetyl-3-prop-2-enyl-5,6a-dihydro-1H-pyrrolo[2,3-d]carbazole-2,6-dione (CID 11232499) is (6aR,11bS)-7-acetyl-3-prop-2-enyl-5,6a-dihydro-1H-pyrrolo[2,3-d]carbazole-2,6-dione.
What is the SMILES notation for (6aR,11bS)-7-acetyl-3-prop-2-enyl-5,6a-dihydro-1H-pyrrolo[2,3-d]carbazole-2,6-dione?
The canonical SMILES for (6aR,11bS)-7-acetyl-3-prop-2-enyl-5,6a-dihydro-1H-pyrrolo[2,3-d]carbazole-2,6-dione is C=CCN1C(=O)C[C@@]23C1=CCC(=O)[C@@H]2N(C(C)=O)c1ccccc13.
What is the InChIKey of (6aR,11bS)-7-acetyl-3-prop-2-enyl-5,6a-dihydro-1H-pyrrolo[2,3-d]carbazole-2,6-dione?
The InChIKey is MOHCEZRWPPFZAO-RBUKOAKNSA-N. The full InChI is InChI=1S/C19H18N2O3/c1-3-10-20-16-9-8-15(23)18-19(16,11-17(20)24)13-6-4-5-7-14(13)21(18)12(2)22/h3-7,9,18H,1,8,10-11H2,2H3/t18-,19+/m0/s1.
What are the key properties of (6aR,11bS)-7-acetyl-3-prop-2-enyl-5,6a-dihydro-1H-pyrrolo[2,3-d]carbazole-2,6-dione?
(6aR,11bS)-7-acetyl-3-prop-2-enyl-5,6a-dihydro-1H-pyrrolo[2,3-d]carbazole-2,6-dione has a molecular weight of 322.36 g/mol, XLogP of 1.93, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6aR,11bS)-7-acetyl-3-prop-2-enyl-5,6a-dihydro-1H-pyrrolo[2,3-d]carbazole-2,6-dione is sourced from PubChem (CID 11232499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).