1,3-dihydroxy-10,11,12-trioxo-2,3,4,4a,5,5a,6,6a,7,10a,11a,12a-dodecahydro-1H-tetracene-2-carboxamide

C19H23NO6 — CID 123138609

IUPAC1,3-dihydroxy-10,11,12-trioxo-2,3,4,4a,5,5a,6,6a,7,10a,11a,12a-dodecahydro-1H-tetracene-2-carboxamide
SMILESNC(=O)C1C(O)CC2CC3CC4CC=CC(=O)C4C(=O)C3C(=O)C2C1O
InChIInChI=1S/C19H23NO6/c20-19(26)15-11(22)6-9-5-8-4-7-2-1-3-10(21)12(7)16(23)13(8)17(24)14(9)18(15)25/h1,3,7-9,11-15,18,22,25H,2,4-6H2,(H2,20,26)
InChIKeyALFCLQYUDUVKAI-UHFFFAOYSA-N
MW361.39 g/mol
LogP-0.61
Rot. Bonds1

About 1,3-dihydroxy-10,11,12-trioxo-2,3,4,4a,5,5a,6,6a,7,10a,11a,12a-dodecahydro-1H-tetracene-2-carboxamide

1,3-dihydroxy-10,11,12-trioxo-2,3,4,4a,5,5a,6,6a,7,10a,11a,12a-dodecahydro-1H-tetracene-2-carboxamide (PubChem CID 123138609) has the molecular formula C19H23NO6 and a molecular weight of 361.39 g/mol. Its IUPAC name is 1,3-dihydroxy-10,11,12-trioxo-2,3,4,4a,5,5a,6,6a,7,10a,11a,12a-dodecahydro-1H-tetracene-2-carboxamide.

Molecular Properties

Compound Name1,3-dihydroxy-10,11,12-trioxo-2,3,4,4a,5,5a,6,6a,7,10a,11a,12a-dodecahydro-1H-tetracene-2-carboxamide
PubChem CID123138609
Molecular FormulaC19H23NO6
Molecular Weight361.39 g/mol
Exact Mass361.15
IUPAC Name1,3-dihydroxy-10,11,12-trioxo-2,3,4,4a,5,5a,6,6a,7,10a,11a,12a-dodecahydro-1H-tetracene-2-carboxamide
SMILESNC(=O)C1C(O)CC2CC3CC4CC=CC(=O)C4C(=O)C3C(=O)C2C1O
InChIInChI=1S/C19H23NO6/c20-19(26)15-11(22)6-9-5-8-4-7-2-1-3-10(21)12(7)16(23)13(8)17(24)14(9)18(15)25/h1,3,7-9,11-15,18,22,25H,2,4-6H2,(H2,20,26)
InChIKeyALFCLQYUDUVKAI-UHFFFAOYSA-N
XLogP-0.61
TPSA134.76 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.39
LogP ≤ 5-0.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

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CID 131967792
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CID 160845798
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Frequently Asked Questions

What is the IUPAC name of 1,3-dihydroxy-10,11,12-trioxo-2,3,4,4a,5,5a,6,6a,7,10a,11a,12a-dodecahydro-1H-tetracene-2-carboxamide?
The IUPAC name of 1,3-dihydroxy-10,11,12-trioxo-2,3,4,4a,5,5a,6,6a,7,10a,11a,12a-dodecahydro-1H-tetracene-2-carboxamide (CID 123138609) is 1,3-dihydroxy-10,11,12-trioxo-2,3,4,4a,5,5a,6,6a,7,10a,11a,12a-dodecahydro-1H-tetracene-2-carboxamide.
What is the SMILES notation for 1,3-dihydroxy-10,11,12-trioxo-2,3,4,4a,5,5a,6,6a,7,10a,11a,12a-dodecahydro-1H-tetracene-2-carboxamide?
The canonical SMILES for 1,3-dihydroxy-10,11,12-trioxo-2,3,4,4a,5,5a,6,6a,7,10a,11a,12a-dodecahydro-1H-tetracene-2-carboxamide is NC(=O)C1C(O)CC2CC3CC4CC=CC(=O)C4C(=O)C3C(=O)C2C1O.
What is the InChIKey of 1,3-dihydroxy-10,11,12-trioxo-2,3,4,4a,5,5a,6,6a,7,10a,11a,12a-dodecahydro-1H-tetracene-2-carboxamide?
The InChIKey is ALFCLQYUDUVKAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO6/c20-19(26)15-11(22)6-9-5-8-4-7-2-1-3-10(21)12(7)16(23)13(8)17(24)14(9)18(15)25/h1,3,7-9,11-15,18,22,25H,2,4-6H2,(H2,20,26).
What are the key properties of 1,3-dihydroxy-10,11,12-trioxo-2,3,4,4a,5,5a,6,6a,7,10a,11a,12a-dodecahydro-1H-tetracene-2-carboxamide?
1,3-dihydroxy-10,11,12-trioxo-2,3,4,4a,5,5a,6,6a,7,10a,11a,12a-dodecahydro-1H-tetracene-2-carboxamide has a molecular weight of 361.39 g/mol, XLogP of -0.61, 1 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dihydroxy-10,11,12-trioxo-2,3,4,4a,5,5a,6,6a,7,10a,11a,12a-dodecahydro-1H-tetracene-2-carboxamide is sourced from PubChem (CID 123138609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).