(4'aS)-1'-(4-fluorophenyl)-4'a-methylspiro[1,3-dioxolane-2,5'-6,7-dihydro-4H-cyclopenta[f]indazole]

C19H19FN2O2 — CID 11336351

IUPAC(4'aS)-1'-(4-fluorophenyl)-4'a-methylspiro[1,3-dioxolane-2,5'-6,7-dihydro-4H-cyclopenta[f]indazole]
SMILESC[C@]12Cc3cnn(-c4ccc(F)cc4)c3C=C1CCC21OCCO1
InChIInChI=1S/C19H19FN2O2/c1-18-11-13-12-21-22(16-4-2-15(20)3-5-16)17(13)10-14(18)6-7-19(18)23-8-9-24-19/h2-5,10,12H,6-9,11H2,1H3/t18-/m0/s1
InChIKeyYGMZMSTZNPBQIC-SFHVURJKSA-N
MW326.37 g/mol
LogP3.49
Rot. Bonds1

About (4'aS)-1'-(4-fluorophenyl)-4'a-methylspiro[1,3-dioxolane-2,5'-6,7-dihydro-4H-cyclopenta[f]indazole]

(4'aS)-1'-(4-fluorophenyl)-4'a-methylspiro[1,3-dioxolane-2,5'-6,7-dihydro-4H-cyclopenta[f]indazole] (PubChem CID 11336351) has the molecular formula C19H19FN2O2 and a molecular weight of 326.37 g/mol. Its IUPAC name is (4'aS)-1'-(4-fluorophenyl)-4'a-methylspiro[1,3-dioxolane-2,5'-6,7-dihydro-4H-cyclopenta[f]indazole].

Molecular Properties

Compound Name(4'aS)-1'-(4-fluorophenyl)-4'a-methylspiro[1,3-dioxolane-2,5'-6,7-dihydro-4H-cyclopenta[f]indazole]
PubChem CID11336351
Molecular FormulaC19H19FN2O2
Molecular Weight326.37 g/mol
Exact Mass326.14
IUPAC Name(4'aS)-1'-(4-fluorophenyl)-4'a-methylspiro[1,3-dioxolane-2,5'-6,7-dihydro-4H-cyclopenta[f]indazole]
SMILESC[C@]12Cc3cnn(-c4ccc(F)cc4)c3C=C1CCC21OCCO1
InChIInChI=1S/C19H19FN2O2/c1-18-11-13-12-21-22(16-4-2-15(20)3-5-16)17(13)10-14(18)6-7-19(18)23-8-9-24-19/h2-5,10,12H,6-9,11H2,1H3/t18-/m0/s1
InChIKeyYGMZMSTZNPBQIC-SFHVURJKSA-N
XLogP3.49
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.37
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4'aS)-1'-(4-fluorophenyl)-4'a-methylspiro[1,3-dioxolane-2,5'-6,7-dihydro-4H-cyclopenta[f]indazole]?
The IUPAC name of (4'aS)-1'-(4-fluorophenyl)-4'a-methylspiro[1,3-dioxolane-2,5'-6,7-dihydro-4H-cyclopenta[f]indazole] (CID 11336351) is (4'aS)-1'-(4-fluorophenyl)-4'a-methylspiro[1,3-dioxolane-2,5'-6,7-dihydro-4H-cyclopenta[f]indazole].
What is the SMILES notation for (4'aS)-1'-(4-fluorophenyl)-4'a-methylspiro[1,3-dioxolane-2,5'-6,7-dihydro-4H-cyclopenta[f]indazole]?
The canonical SMILES for (4'aS)-1'-(4-fluorophenyl)-4'a-methylspiro[1,3-dioxolane-2,5'-6,7-dihydro-4H-cyclopenta[f]indazole] is C[C@]12Cc3cnn(-c4ccc(F)cc4)c3C=C1CCC21OCCO1.
What is the InChIKey of (4'aS)-1'-(4-fluorophenyl)-4'a-methylspiro[1,3-dioxolane-2,5'-6,7-dihydro-4H-cyclopenta[f]indazole]?
The InChIKey is YGMZMSTZNPBQIC-SFHVURJKSA-N. The full InChI is InChI=1S/C19H19FN2O2/c1-18-11-13-12-21-22(16-4-2-15(20)3-5-16)17(13)10-14(18)6-7-19(18)23-8-9-24-19/h2-5,10,12H,6-9,11H2,1H3/t18-/m0/s1.
What are the key properties of (4'aS)-1'-(4-fluorophenyl)-4'a-methylspiro[1,3-dioxolane-2,5'-6,7-dihydro-4H-cyclopenta[f]indazole]?
(4'aS)-1'-(4-fluorophenyl)-4'a-methylspiro[1,3-dioxolane-2,5'-6,7-dihydro-4H-cyclopenta[f]indazole] has a molecular weight of 326.37 g/mol, XLogP of 3.49, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4'aS)-1'-(4-fluorophenyl)-4'a-methylspiro[1,3-dioxolane-2,5'-6,7-dihydro-4H-cyclopenta[f]indazole] is sourced from PubChem (CID 11336351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).