(10S)-10-(hydroxyiminomethyl)-8,8-dimethyl-10H-pyrano[2,3-f]chromene-2,9-dione

C15H13NO5 — CID 7108015

IUPAC(10S)-10-(hydroxyiminomethyl)-8,8-dimethyl-10H-pyrano[2,3-f]chromene-2,9-dione
SMILESCC1(C)Oc2ccc3ccc(=O)oc3c2[C@@H](C=NO)C1=O
InChIInChI=1S/C15H13NO5/c1-15(2)14(18)9(7-16-19)12-10(21-15)5-3-8-4-6-11(17)20-13(8)12/h3-7,9,19H,1-2H3/t9-/m1/s1
InChIKeyKLYUTOYMOGYVCW-SECBINFHSA-N
MW287.27 g/mol
LogP2.08
Rot. Bonds1

About (10S)-10-(hydroxyiminomethyl)-8,8-dimethyl-10H-pyrano[2,3-f]chromene-2,9-dione

(10S)-10-(hydroxyiminomethyl)-8,8-dimethyl-10H-pyrano[2,3-f]chromene-2,9-dione (PubChem CID 7108015) has the molecular formula C15H13NO5 and a molecular weight of 287.27 g/mol. Its IUPAC name is (10S)-10-(hydroxyiminomethyl)-8,8-dimethyl-10H-pyrano[2,3-f]chromene-2,9-dione.

Molecular Properties

Compound Name(10S)-10-(hydroxyiminomethyl)-8,8-dimethyl-10H-pyrano[2,3-f]chromene-2,9-dione
PubChem CID7108015
Molecular FormulaC15H13NO5
Molecular Weight287.27 g/mol
Exact Mass287.08
IUPAC Name(10S)-10-(hydroxyiminomethyl)-8,8-dimethyl-10H-pyrano[2,3-f]chromene-2,9-dione
SMILESCC1(C)Oc2ccc3ccc(=O)oc3c2[C@@H](C=NO)C1=O
InChIInChI=1S/C15H13NO5/c1-15(2)14(18)9(7-16-19)12-10(21-15)5-3-8-4-6-11(17)20-13(8)12/h3-7,9,19H,1-2H3/t9-/m1/s1
InChIKeyKLYUTOYMOGYVCW-SECBINFHSA-N
XLogP2.08
TPSA89.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.27
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (10S)-10-(hydroxyiminomethyl)-8,8-dimethyl-10H-pyrano[2,3-f]chromene-2,9-dione?
The IUPAC name of (10S)-10-(hydroxyiminomethyl)-8,8-dimethyl-10H-pyrano[2,3-f]chromene-2,9-dione (CID 7108015) is (10S)-10-(hydroxyiminomethyl)-8,8-dimethyl-10H-pyrano[2,3-f]chromene-2,9-dione.
What is the SMILES notation for (10S)-10-(hydroxyiminomethyl)-8,8-dimethyl-10H-pyrano[2,3-f]chromene-2,9-dione?
The canonical SMILES for (10S)-10-(hydroxyiminomethyl)-8,8-dimethyl-10H-pyrano[2,3-f]chromene-2,9-dione is CC1(C)Oc2ccc3ccc(=O)oc3c2[C@@H](C=NO)C1=O.
What is the InChIKey of (10S)-10-(hydroxyiminomethyl)-8,8-dimethyl-10H-pyrano[2,3-f]chromene-2,9-dione?
The InChIKey is KLYUTOYMOGYVCW-SECBINFHSA-N. The full InChI is InChI=1S/C15H13NO5/c1-15(2)14(18)9(7-16-19)12-10(21-15)5-3-8-4-6-11(17)20-13(8)12/h3-7,9,19H,1-2H3/t9-/m1/s1.
What are the key properties of (10S)-10-(hydroxyiminomethyl)-8,8-dimethyl-10H-pyrano[2,3-f]chromene-2,9-dione?
(10S)-10-(hydroxyiminomethyl)-8,8-dimethyl-10H-pyrano[2,3-f]chromene-2,9-dione has a molecular weight of 287.27 g/mol, XLogP of 2.08, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (10S)-10-(hydroxyiminomethyl)-8,8-dimethyl-10H-pyrano[2,3-f]chromene-2,9-dione is sourced from PubChem (CID 7108015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).