4-fluoro-2,3a-dimethyl-4-prop-2-enyl-3,5,6,6a-tetrahydro-1H-cyclopenta[c]pyrrole

C12H20FN — CID 145150556

IUPAC4-fluoro-2,3a-dimethyl-4-prop-2-enyl-3,5,6,6a-tetrahydro-1H-cyclopenta[c]pyrrole
SMILESC=CCC1(F)CCC2CN(C)CC21C
InChIInChI=1S/C12H20FN/c1-4-6-12(13)7-5-10-8-14(3)9-11(10,12)2/h4,10H,1,5-9H2,2-3H3
InChIKeyJEYFOLMLFXBMER-UHFFFAOYSA-N
MW197.30 g/mol
LogP2.63
Rot. Bonds2

About 4-fluoro-2,3a-dimethyl-4-prop-2-enyl-3,5,6,6a-tetrahydro-1H-cyclopenta[c]pyrrole

4-fluoro-2,3a-dimethyl-4-prop-2-enyl-3,5,6,6a-tetrahydro-1H-cyclopenta[c]pyrrole (PubChem CID 145150556) has the molecular formula C12H20FN and a molecular weight of 197.30 g/mol. Its IUPAC name is 4-fluoro-2,3a-dimethyl-4-prop-2-enyl-3,5,6,6a-tetrahydro-1H-cyclopenta[c]pyrrole.

Molecular Properties

Compound Name4-fluoro-2,3a-dimethyl-4-prop-2-enyl-3,5,6,6a-tetrahydro-1H-cyclopenta[c]pyrrole
PubChem CID145150556
Molecular FormulaC12H20FN
Molecular Weight197.30 g/mol
Exact Mass197.16
IUPAC Name4-fluoro-2,3a-dimethyl-4-prop-2-enyl-3,5,6,6a-tetrahydro-1H-cyclopenta[c]pyrrole
SMILESC=CCC1(F)CCC2CN(C)CC21C
InChIInChI=1S/C12H20FN/c1-4-6-12(13)7-5-10-8-14(3)9-11(10,12)2/h4,10H,1,5-9H2,2-3H3
InChIKeyJEYFOLMLFXBMER-UHFFFAOYSA-N
XLogP2.63
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.30
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 4-fluoro-2,3a-dimethyl-4-prop-2-enyl-3,5,6,6a-tetrahydro-1H-cyclopenta[c]pyrrole with MolForge

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Launch Full Analysis

Related Compounds

6a-Fluoro-2,3,6-trimethyl-4-prop-1-en-2-yl-1,3,3a,4,5,6-hexahydrocyclopenta[c]pyrrole
CID 167309494
2-Fluoro-4,5-di(propan-2-yl)-4-azatricyclo[5.2.1.02,6]dec-8-ene
CID 167424933
10-Fluoro-3,4-di(propan-2-yl)-4-azatricyclo[5.2.1.02,6]dec-8-ene
CID 167425108
2-Fluoro-3,4-di(propan-2-yl)-4-azatricyclo[5.2.1.02,6]dec-8-ene
CID 167425202
2-Fluoro-6-methyl-3,4-di(propan-2-yl)-4-azatricyclo[5.2.1.02,6]dec-8-ene
CID 174169270
(1S,2R,6S,7R)-2-methyl-4-(3,3,3-trifluoropropyl)-4-azatricyclo[5.2.1.02,6]dec-8-ene;hydrochloride
CID 166256480
(1S,2R,6S,7R)-2-methyl-4-(3,3,3-trifluoropropyl)-4-azatricyclo[5.2.1.02,6]dec-8-ene
CID 166256481
5-[(3Z,5Z)-hepta-3,5-dienyl]-2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 138507832
(3aR,6aS)-2-methyl-4-prop-1-en-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 155397308
(3aR)-3a-methyl-2-(2-propylhex-5-enyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole
CID 156491759
2-(2-propylhex-5-enyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 156491828
5-[(2Z)-6-ethyl-3-methyl-6-propylundeca-2,10-dienyl]-2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 166980910

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2,3a-dimethyl-4-prop-2-enyl-3,5,6,6a-tetrahydro-1H-cyclopenta[c]pyrrole?
The IUPAC name of 4-fluoro-2,3a-dimethyl-4-prop-2-enyl-3,5,6,6a-tetrahydro-1H-cyclopenta[c]pyrrole (CID 145150556) is 4-fluoro-2,3a-dimethyl-4-prop-2-enyl-3,5,6,6a-tetrahydro-1H-cyclopenta[c]pyrrole.
What is the SMILES notation for 4-fluoro-2,3a-dimethyl-4-prop-2-enyl-3,5,6,6a-tetrahydro-1H-cyclopenta[c]pyrrole?
The canonical SMILES for 4-fluoro-2,3a-dimethyl-4-prop-2-enyl-3,5,6,6a-tetrahydro-1H-cyclopenta[c]pyrrole is C=CCC1(F)CCC2CN(C)CC21C.
What is the InChIKey of 4-fluoro-2,3a-dimethyl-4-prop-2-enyl-3,5,6,6a-tetrahydro-1H-cyclopenta[c]pyrrole?
The InChIKey is JEYFOLMLFXBMER-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20FN/c1-4-6-12(13)7-5-10-8-14(3)9-11(10,12)2/h4,10H,1,5-9H2,2-3H3.
What are the key properties of 4-fluoro-2,3a-dimethyl-4-prop-2-enyl-3,5,6,6a-tetrahydro-1H-cyclopenta[c]pyrrole?
4-fluoro-2,3a-dimethyl-4-prop-2-enyl-3,5,6,6a-tetrahydro-1H-cyclopenta[c]pyrrole has a molecular weight of 197.30 g/mol, XLogP of 2.63, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2,3a-dimethyl-4-prop-2-enyl-3,5,6,6a-tetrahydro-1H-cyclopenta[c]pyrrole is sourced from PubChem (CID 145150556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).