1-(6-fluoro-2,2-dimethyl-4-nitroso-3,4-dihydrochromen-7-yl)pyrrolidine

C15H19FN2O2 — CID 54246381

IUPAC1-(6-fluoro-2,2-dimethyl-4-nitroso-3,4-dihydrochromen-7-yl)pyrrolidine
SMILESCC1(C)CC(N=O)c2cc(F)c(N3CCCC3)cc2O1
InChIInChI=1S/C15H19FN2O2/c1-15(2)9-12(17-19)10-7-11(16)13(8-14(10)20-15)18-5-3-4-6-18/h7-8,12H,3-6,9H2,1-2H3
InChIKeyQTOMHGDXSGLVQP-UHFFFAOYSA-N
MW278.33 g/mol
LogP3.79
Rot. Bonds2

About 1-(6-fluoro-2,2-dimethyl-4-nitroso-3,4-dihydrochromen-7-yl)pyrrolidine

1-(6-fluoro-2,2-dimethyl-4-nitroso-3,4-dihydrochromen-7-yl)pyrrolidine (PubChem CID 54246381) has the molecular formula C15H19FN2O2 and a molecular weight of 278.33 g/mol. Its IUPAC name is 1-(6-fluoro-2,2-dimethyl-4-nitroso-3,4-dihydrochromen-7-yl)pyrrolidine.

Molecular Properties

Compound Name1-(6-fluoro-2,2-dimethyl-4-nitroso-3,4-dihydrochromen-7-yl)pyrrolidine
PubChem CID54246381
Molecular FormulaC15H19FN2O2
Molecular Weight278.33 g/mol
Exact Mass278.14
IUPAC Name1-(6-fluoro-2,2-dimethyl-4-nitroso-3,4-dihydrochromen-7-yl)pyrrolidine
SMILESCC1(C)CC(N=O)c2cc(F)c(N3CCCC3)cc2O1
InChIInChI=1S/C15H19FN2O2/c1-15(2)9-12(17-19)10-7-11(16)13(8-14(10)20-15)18-5-3-4-6-18/h7-8,12H,3-6,9H2,1-2H3
InChIKeyQTOMHGDXSGLVQP-UHFFFAOYSA-N
XLogP3.79
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(6-fluoro-2,2-dimethyl-4-nitroso-3,4-dihydrochromen-7-yl)pyrrolidine?
The IUPAC name of 1-(6-fluoro-2,2-dimethyl-4-nitroso-3,4-dihydrochromen-7-yl)pyrrolidine (CID 54246381) is 1-(6-fluoro-2,2-dimethyl-4-nitroso-3,4-dihydrochromen-7-yl)pyrrolidine.
What is the SMILES notation for 1-(6-fluoro-2,2-dimethyl-4-nitroso-3,4-dihydrochromen-7-yl)pyrrolidine?
The canonical SMILES for 1-(6-fluoro-2,2-dimethyl-4-nitroso-3,4-dihydrochromen-7-yl)pyrrolidine is CC1(C)CC(N=O)c2cc(F)c(N3CCCC3)cc2O1.
What is the InChIKey of 1-(6-fluoro-2,2-dimethyl-4-nitroso-3,4-dihydrochromen-7-yl)pyrrolidine?
The InChIKey is QTOMHGDXSGLVQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O2/c1-15(2)9-12(17-19)10-7-11(16)13(8-14(10)20-15)18-5-3-4-6-18/h7-8,12H,3-6,9H2,1-2H3.
What are the key properties of 1-(6-fluoro-2,2-dimethyl-4-nitroso-3,4-dihydrochromen-7-yl)pyrrolidine?
1-(6-fluoro-2,2-dimethyl-4-nitroso-3,4-dihydrochromen-7-yl)pyrrolidine has a molecular weight of 278.33 g/mol, XLogP of 3.79, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-fluoro-2,2-dimethyl-4-nitroso-3,4-dihydrochromen-7-yl)pyrrolidine is sourced from PubChem (CID 54246381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).