(5S,7R)-tetracyclo[9.2.1.05,13.07,12]tetradeca-1,3,8,10,12-pentaen-6-one

C14H10O — CID 102398309

IUPAC(5S,7R)-tetracyclo[9.2.1.05,13.07,12]tetradeca-1,3,8,10,12-pentaen-6-one
SMILESO=C1[C@H]2C=CC=C3CC4=CC=C[C@@H]1C4=C32
InChIInChI=1S/C14H10O/c15-14-10-5-1-3-8-7-9-4-2-6-11(14)13(9)12(8)10/h1-6,10-11H,7H2/t10-,11+
InChIKeyQINBNOLVOHQDPT-PHIMTYICSA-N
MW194.23 g/mol
LogP2.49
Rot. Bonds

About (5S,7R)-tetracyclo[9.2.1.05,13.07,12]tetradeca-1,3,8,10,12-pentaen-6-one

(5S,7R)-tetracyclo[9.2.1.05,13.07,12]tetradeca-1,3,8,10,12-pentaen-6-one (PubChem CID 102398309) has the molecular formula C14H10O and a molecular weight of 194.23 g/mol. Its IUPAC name is (5S,7R)-tetracyclo[9.2.1.05,13.07,12]tetradeca-1,3,8,10,12-pentaen-6-one.

Molecular Properties

Compound Name(5S,7R)-tetracyclo[9.2.1.05,13.07,12]tetradeca-1,3,8,10,12-pentaen-6-one
PubChem CID102398309
Molecular FormulaC14H10O
Molecular Weight194.23 g/mol
Exact Mass194.07
IUPAC Name(5S,7R)-tetracyclo[9.2.1.05,13.07,12]tetradeca-1,3,8,10,12-pentaen-6-one
SMILESO=C1[C@H]2C=CC=C3CC4=CC=C[C@@H]1C4=C32
InChIInChI=1S/C14H10O/c15-14-10-5-1-3-8-7-9-4-2-6-11(14)13(9)12(8)10/h1-6,10-11H,7H2/t10-,11+
InChIKeyQINBNOLVOHQDPT-PHIMTYICSA-N
XLogP2.49
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (5S,7R)-tetracyclo[9.2.1.05,13.07,12]tetradeca-1,3,8,10,12-pentaen-6-one with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (5S,7R)-tetracyclo[9.2.1.05,13.07,12]tetradeca-1,3,8,10,12-pentaen-6-one?
The IUPAC name of (5S,7R)-tetracyclo[9.2.1.05,13.07,12]tetradeca-1,3,8,10,12-pentaen-6-one (CID 102398309) is (5S,7R)-tetracyclo[9.2.1.05,13.07,12]tetradeca-1,3,8,10,12-pentaen-6-one.
What is the SMILES notation for (5S,7R)-tetracyclo[9.2.1.05,13.07,12]tetradeca-1,3,8,10,12-pentaen-6-one?
The canonical SMILES for (5S,7R)-tetracyclo[9.2.1.05,13.07,12]tetradeca-1,3,8,10,12-pentaen-6-one is O=C1[C@H]2C=CC=C3CC4=CC=C[C@@H]1C4=C32.
What is the InChIKey of (5S,7R)-tetracyclo[9.2.1.05,13.07,12]tetradeca-1,3,8,10,12-pentaen-6-one?
The InChIKey is QINBNOLVOHQDPT-PHIMTYICSA-N. The full InChI is InChI=1S/C14H10O/c15-14-10-5-1-3-8-7-9-4-2-6-11(14)13(9)12(8)10/h1-6,10-11H,7H2/t10-,11+.
What are the key properties of (5S,7R)-tetracyclo[9.2.1.05,13.07,12]tetradeca-1,3,8,10,12-pentaen-6-one?
(5S,7R)-tetracyclo[9.2.1.05,13.07,12]tetradeca-1,3,8,10,12-pentaen-6-one has a molecular weight of 194.23 g/mol, XLogP of 2.49, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,7R)-tetracyclo[9.2.1.05,13.07,12]tetradeca-1,3,8,10,12-pentaen-6-one is sourced from PubChem (CID 102398309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).