5-cyclohexa-2,4-dien-1-yl-3-fluoro-1-methyl-2-methylidenepyrrolidine

C12H16FN — CID 175611923

IUPAC5-cyclohexa-2,4-dien-1-yl-3-fluoro-1-methyl-2-methylidenepyrrolidine
SMILESC=C1C(F)CC(C2C=CC=CC2)N1C
InChIInChI=1S/C12H16FN/c1-9-11(13)8-12(14(9)2)10-6-4-3-5-7-10/h3-6,10-12H,1,7-8H2,2H3
InChIKeyCBWOEWMHZSDULC-UHFFFAOYSA-N
MW193.27 g/mol
LogP2.67
Rot. Bonds1

About 5-cyclohexa-2,4-dien-1-yl-3-fluoro-1-methyl-2-methylidenepyrrolidine

5-cyclohexa-2,4-dien-1-yl-3-fluoro-1-methyl-2-methylidenepyrrolidine (PubChem CID 175611923) has the molecular formula C12H16FN and a molecular weight of 193.27 g/mol. Its IUPAC name is 5-cyclohexa-2,4-dien-1-yl-3-fluoro-1-methyl-2-methylidenepyrrolidine.

Molecular Properties

Compound Name5-cyclohexa-2,4-dien-1-yl-3-fluoro-1-methyl-2-methylidenepyrrolidine
PubChem CID175611923
Molecular FormulaC12H16FN
Molecular Weight193.27 g/mol
Exact Mass193.13
IUPAC Name5-cyclohexa-2,4-dien-1-yl-3-fluoro-1-methyl-2-methylidenepyrrolidine
SMILESC=C1C(F)CC(C2C=CC=CC2)N1C
InChIInChI=1S/C12H16FN/c1-9-11(13)8-12(14(9)2)10-6-4-3-5-7-10/h3-6,10-12H,1,7-8H2,2H3
InChIKeyCBWOEWMHZSDULC-UHFFFAOYSA-N
XLogP2.67
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.27
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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Dimethyl hexahydroquinoline
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7-Fluoro-1-methyl-2,3,3a,4-tetrahydroindole
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1-[5,6-Dimethyl-4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]pyrrolidine
CID 91378151
(3E)-N-[(2S)-4-[(1S,5R)-3,5-difluorocyclohex-3-en-1-yl]butan-2-yl]-6-methyl-N-prop-2-enylhepta-1,3-dien-3-amine
CID 122647527
1-Buta-1,3-dien-2-yl-2-(4-fluoropenta-2,4-dien-2-yl)pyrrolidine
CID 123874356
1-(3-Fluoro-5-methyl-5-propan-2-ylcyclohexa-1,3-dien-1-yl)pyrrolidine
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2-(2-Fluoropropan-2-yl)-6-prop-1-en-2-yl-1-azabicyclo[3.2.1]octa-2,4-diene
CID 129236268
(3Z,6Z)-N-ethyl-4-fluoro-6-methyl-N-[(4-methylcyclohexa-2,4-dien-1-yl)methyl]-5-methylidene-3-(3-methyl-2-prop-1-en-2-ylpentyl)octa-1,3,6-trien-2-amine
CID 132123939
(2E)-1-[(4,4-difluorocyclohexyl)methyl]-2-[(E)-4-methyl-2-methylidene-3-prop-1-en-2-ylhex-3-enylidene]-3H-pyrrole
CID 135294797

Frequently Asked Questions

What is the IUPAC name of 5-cyclohexa-2,4-dien-1-yl-3-fluoro-1-methyl-2-methylidenepyrrolidine?
The IUPAC name of 5-cyclohexa-2,4-dien-1-yl-3-fluoro-1-methyl-2-methylidenepyrrolidine (CID 175611923) is 5-cyclohexa-2,4-dien-1-yl-3-fluoro-1-methyl-2-methylidenepyrrolidine.
What is the SMILES notation for 5-cyclohexa-2,4-dien-1-yl-3-fluoro-1-methyl-2-methylidenepyrrolidine?
The canonical SMILES for 5-cyclohexa-2,4-dien-1-yl-3-fluoro-1-methyl-2-methylidenepyrrolidine is C=C1C(F)CC(C2C=CC=CC2)N1C.
What is the InChIKey of 5-cyclohexa-2,4-dien-1-yl-3-fluoro-1-methyl-2-methylidenepyrrolidine?
The InChIKey is CBWOEWMHZSDULC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FN/c1-9-11(13)8-12(14(9)2)10-6-4-3-5-7-10/h3-6,10-12H,1,7-8H2,2H3.
What are the key properties of 5-cyclohexa-2,4-dien-1-yl-3-fluoro-1-methyl-2-methylidenepyrrolidine?
5-cyclohexa-2,4-dien-1-yl-3-fluoro-1-methyl-2-methylidenepyrrolidine has a molecular weight of 193.27 g/mol, XLogP of 2.67, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclohexa-2,4-dien-1-yl-3-fluoro-1-methyl-2-methylidenepyrrolidine is sourced from PubChem (CID 175611923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).