2-[2-(4-fluoro-3-methylcyclohexa-1,3-dien-1-yl)-3,4-dihydro-2H-pyrrol-3-yl]-1,5-dimethyl-2,5-dihydropyrrole

C17H23FN2 — CID 123531490

IUPAC2-[2-(4-fluoro-3-methylcyclohexa-1,3-dien-1-yl)-3,4-dihydro-2H-pyrrol-3-yl]-1,5-dimethyl-2,5-dihydropyrrole
SMILESCC1=C(F)CCC(C2N=CCC2C2C=CC(C)N2C)=C1
InChIInChI=1S/C17H23FN2/c1-11-10-13(5-6-15(11)18)17-14(8-9-19-17)16-7-4-12(2)20(16)3/h4,7,9-10,12,14,16-17H,5-6,8H2,1-3H3
InChIKeyYOIMLNUIWQNKOR-UHFFFAOYSA-N
MW274.38 g/mol
LogP3.67
Rot. Bonds2

About 2-[2-(4-fluoro-3-methylcyclohexa-1,3-dien-1-yl)-3,4-dihydro-2H-pyrrol-3-yl]-1,5-dimethyl-2,5-dihydropyrrole

2-[2-(4-fluoro-3-methylcyclohexa-1,3-dien-1-yl)-3,4-dihydro-2H-pyrrol-3-yl]-1,5-dimethyl-2,5-dihydropyrrole (PubChem CID 123531490) has the molecular formula C17H23FN2 and a molecular weight of 274.38 g/mol. Its IUPAC name is 2-[2-(4-fluoro-3-methylcyclohexa-1,3-dien-1-yl)-3,4-dihydro-2H-pyrrol-3-yl]-1,5-dimethyl-2,5-dihydropyrrole.

Molecular Properties

Compound Name2-[2-(4-fluoro-3-methylcyclohexa-1,3-dien-1-yl)-3,4-dihydro-2H-pyrrol-3-yl]-1,5-dimethyl-2,5-dihydropyrrole
PubChem CID123531490
Molecular FormulaC17H23FN2
Molecular Weight274.38 g/mol
Exact Mass274.18
IUPAC Name2-[2-(4-fluoro-3-methylcyclohexa-1,3-dien-1-yl)-3,4-dihydro-2H-pyrrol-3-yl]-1,5-dimethyl-2,5-dihydropyrrole
SMILESCC1=C(F)CCC(C2N=CCC2C2C=CC(C)N2C)=C1
InChIInChI=1S/C17H23FN2/c1-11-10-13(5-6-15(11)18)17-14(8-9-19-17)16-7-4-12(2)20(16)3/h4,7,9-10,12,14,16-17H,5-6,8H2,1-3H3
InChIKeyYOIMLNUIWQNKOR-UHFFFAOYSA-N
XLogP3.67
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.38
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[2-(4-fluoro-3-methylcyclohexa-1,3-dien-1-yl)-3,4-dihydro-2H-pyrrol-3-yl]-1,5-dimethyl-2,5-dihydropyrrole with MolForge

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Related Compounds

N-ethyl-3-[2-fluoro-5-[(E)-2-[(Z)-prop-1-enyl]pent-2-enyl]-2H-pyrrol-4-yl]-N-methylhexan-2-amine
CID 139378441
2-[2-(4-fluoro-5-methylcyclohexa-2,4-dien-1-yl)-2H-pyrrol-3-yl]-5-methyl-2,5-dihydropyrrol-1-amine
CID 167216820
(Z)-N-ethyl-3-fluoro-4-(2-propan-2-yl-2-azabicyclo[2.2.1]hept-5-en-6-yl)hex-3-en-2-imine
CID 177351414
3-(3-Cyclopentylpropyl)-4-methyl-2-[3-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]-3,4-dihydropyrazole
CID 162560543
N,N-dimethyl-2-[5-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-3a,7a-dihydro-3H-indol-3-yl]ethanamine
CID 90870652
CID 176569573
CID 176569573
CID 176569574
CID 176569574

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-fluoro-3-methylcyclohexa-1,3-dien-1-yl)-3,4-dihydro-2H-pyrrol-3-yl]-1,5-dimethyl-2,5-dihydropyrrole?
The IUPAC name of 2-[2-(4-fluoro-3-methylcyclohexa-1,3-dien-1-yl)-3,4-dihydro-2H-pyrrol-3-yl]-1,5-dimethyl-2,5-dihydropyrrole (CID 123531490) is 2-[2-(4-fluoro-3-methylcyclohexa-1,3-dien-1-yl)-3,4-dihydro-2H-pyrrol-3-yl]-1,5-dimethyl-2,5-dihydropyrrole.
What is the SMILES notation for 2-[2-(4-fluoro-3-methylcyclohexa-1,3-dien-1-yl)-3,4-dihydro-2H-pyrrol-3-yl]-1,5-dimethyl-2,5-dihydropyrrole?
The canonical SMILES for 2-[2-(4-fluoro-3-methylcyclohexa-1,3-dien-1-yl)-3,4-dihydro-2H-pyrrol-3-yl]-1,5-dimethyl-2,5-dihydropyrrole is CC1=C(F)CCC(C2N=CCC2C2C=CC(C)N2C)=C1.
What is the InChIKey of 2-[2-(4-fluoro-3-methylcyclohexa-1,3-dien-1-yl)-3,4-dihydro-2H-pyrrol-3-yl]-1,5-dimethyl-2,5-dihydropyrrole?
The InChIKey is YOIMLNUIWQNKOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN2/c1-11-10-13(5-6-15(11)18)17-14(8-9-19-17)16-7-4-12(2)20(16)3/h4,7,9-10,12,14,16-17H,5-6,8H2,1-3H3.
What are the key properties of 2-[2-(4-fluoro-3-methylcyclohexa-1,3-dien-1-yl)-3,4-dihydro-2H-pyrrol-3-yl]-1,5-dimethyl-2,5-dihydropyrrole?
2-[2-(4-fluoro-3-methylcyclohexa-1,3-dien-1-yl)-3,4-dihydro-2H-pyrrol-3-yl]-1,5-dimethyl-2,5-dihydropyrrole has a molecular weight of 274.38 g/mol, XLogP of 3.67, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-fluoro-3-methylcyclohexa-1,3-dien-1-yl)-3,4-dihydro-2H-pyrrol-3-yl]-1,5-dimethyl-2,5-dihydropyrrole is sourced from PubChem (CID 123531490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).