(4bR,9bR)-4b,7,9b-trihydroxy-8-methoxy-5H-indeno[1,2-b]indol-10-one

C16H13NO5 — CID 11077411

IUPAC(4bR,9bR)-4b,7,9b-trihydroxy-8-methoxy-5H-indeno[1,2-b]indol-10-one
SMILESCOc1cc2c(cc1O)N[C@@]1(O)c3ccccc3C(=O)[C@@]21O
InChIInChI=1S/C16H13NO5/c1-22-13-6-10-11(7-12(13)18)17-16(21)9-5-3-2-4-8(9)14(19)15(10,16)20/h2-7,17-18,20-21H,1H3/t15-,16+/m0/s1
InChIKeyXPJDUJFSOOBKOH-JKSUJKDBSA-N
MW299.28 g/mol
LogP1.06
Rot. Bonds1

About (4bR,9bR)-4b,7,9b-trihydroxy-8-methoxy-5H-indeno[1,2-b]indol-10-one

(4bR,9bR)-4b,7,9b-trihydroxy-8-methoxy-5H-indeno[1,2-b]indol-10-one (PubChem CID 11077411) has the molecular formula C16H13NO5 and a molecular weight of 299.28 g/mol. Its IUPAC name is (4bR,9bR)-4b,7,9b-trihydroxy-8-methoxy-5H-indeno[1,2-b]indol-10-one.

Molecular Properties

Compound Name(4bR,9bR)-4b,7,9b-trihydroxy-8-methoxy-5H-indeno[1,2-b]indol-10-one
PubChem CID11077411
Molecular FormulaC16H13NO5
Molecular Weight299.28 g/mol
Exact Mass299.08
IUPAC Name(4bR,9bR)-4b,7,9b-trihydroxy-8-methoxy-5H-indeno[1,2-b]indol-10-one
SMILESCOc1cc2c(cc1O)N[C@@]1(O)c3ccccc3C(=O)[C@@]21O
InChIInChI=1S/C16H13NO5/c1-22-13-6-10-11(7-12(13)18)17-16(21)9-5-3-2-4-8(9)14(19)15(10,16)20/h2-7,17-18,20-21H,1H3/t15-,16+/m0/s1
InChIKeyXPJDUJFSOOBKOH-JKSUJKDBSA-N
XLogP1.06
TPSA99.02 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.28
LogP ≤ 51.06
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (4bR,9bR)-4b,7,9b-trihydroxy-8-methoxy-5H-indeno[1,2-b]indol-10-one?
The IUPAC name of (4bR,9bR)-4b,7,9b-trihydroxy-8-methoxy-5H-indeno[1,2-b]indol-10-one (CID 11077411) is (4bR,9bR)-4b,7,9b-trihydroxy-8-methoxy-5H-indeno[1,2-b]indol-10-one.
What is the SMILES notation for (4bR,9bR)-4b,7,9b-trihydroxy-8-methoxy-5H-indeno[1,2-b]indol-10-one?
The canonical SMILES for (4bR,9bR)-4b,7,9b-trihydroxy-8-methoxy-5H-indeno[1,2-b]indol-10-one is COc1cc2c(cc1O)N[C@@]1(O)c3ccccc3C(=O)[C@@]21O.
What is the InChIKey of (4bR,9bR)-4b,7,9b-trihydroxy-8-methoxy-5H-indeno[1,2-b]indol-10-one?
The InChIKey is XPJDUJFSOOBKOH-JKSUJKDBSA-N. The full InChI is InChI=1S/C16H13NO5/c1-22-13-6-10-11(7-12(13)18)17-16(21)9-5-3-2-4-8(9)14(19)15(10,16)20/h2-7,17-18,20-21H,1H3/t15-,16+/m0/s1.
What are the key properties of (4bR,9bR)-4b,7,9b-trihydroxy-8-methoxy-5H-indeno[1,2-b]indol-10-one?
(4bR,9bR)-4b,7,9b-trihydroxy-8-methoxy-5H-indeno[1,2-b]indol-10-one has a molecular weight of 299.28 g/mol, XLogP of 1.06, 1 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4bR,9bR)-4b,7,9b-trihydroxy-8-methoxy-5H-indeno[1,2-b]indol-10-one is sourced from PubChem (CID 11077411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).