3-ethenyl-N-[(E)-2-fluoroprop-1-enyl]-N-methylcyclopent-2-en-1-amine

C11H16FN — CID 142929036

IUPAC3-ethenyl-N-[(E)-2-fluoroprop-1-enyl]-N-methylcyclopent-2-en-1-amine
SMILESC=CC1=CC(N(C)/C=C(\C)F)CC1
InChIInChI=1S/C11H16FN/c1-4-10-5-6-11(7-10)13(3)8-9(2)12/h4,7-8,11H,1,5-6H2,2-3H3/b9-8+
InChIKeyQBUUWVOLUMURES-CMDGGOBGSA-N
MW181.25 g/mol
LogP3.02
Rot. Bonds3

About 3-ethenyl-N-[(E)-2-fluoroprop-1-enyl]-N-methylcyclopent-2-en-1-amine

3-ethenyl-N-[(E)-2-fluoroprop-1-enyl]-N-methylcyclopent-2-en-1-amine (PubChem CID 142929036) has the molecular formula C11H16FN and a molecular weight of 181.25 g/mol. Its IUPAC name is 3-ethenyl-N-[(E)-2-fluoroprop-1-enyl]-N-methylcyclopent-2-en-1-amine.

Molecular Properties

Compound Name3-ethenyl-N-[(E)-2-fluoroprop-1-enyl]-N-methylcyclopent-2-en-1-amine
PubChem CID142929036
Molecular FormulaC11H16FN
Molecular Weight181.25 g/mol
Exact Mass181.13
IUPAC Name3-ethenyl-N-[(E)-2-fluoroprop-1-enyl]-N-methylcyclopent-2-en-1-amine
SMILESC=CC1=CC(N(C)/C=C(\C)F)CC1
InChIInChI=1S/C11H16FN/c1-4-10-5-6-11(7-10)13(3)8-9(2)12/h4,7-8,11H,1,5-6H2,2-3H3/b9-8+
InChIKeyQBUUWVOLUMURES-CMDGGOBGSA-N
XLogP3.02
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.25
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-cyclopenta-1,3-dien-1-yl-N,N-dimethylpropan-1-amine
CID 12982239
N-Methylnicotin
CID 53446742
N-ethyl nicotine
CID 129720318
n-Butyl-n-methylpyridine
CID 154224413
7-Fluoro-2-propan-2-yl-1,3,4,5-tetrahydrocyclohepta[c]pyridine
CID 91218244
1-Buta-1,3-dien-2-yl-2-(4-fluoropenta-2,4-dien-2-yl)pyrrolidine
CID 123874356
1-Ethyl-2-(4-fluoropenta-2,4-dien-2-yl)pyrrolidine
CID 123887890
N-ethyl-2-[(1E)-2-fluorobuta-1,3-dienyl]-3-(fluoromethyl)-N-methylcyclopent-2-en-1-amine
CID 131995465
(2R)-2-[(3E,5E)-5-fluorohepta-1,3,5-trien-3-yl]-1-methylpyrrolidine
CID 134386180
(2E,4Z)-4-ethyl-N-(1-fluorohexan-3-yl)-N-methylhexa-2,4-dien-3-amine
CID 134449399
9-Fluoro-2,12-dimethyl-6-methylidene-2-azabicyclo[5.5.0]dodeca-1(12),3,7,9-tetraene
CID 138564152
N-[(5Z)-7-fluoro-3,4-dimethylideneocta-5,7-dienyl]-N,3-dimethylcyclopent-2-en-1-amine
CID 142298286

Frequently Asked Questions

What is the IUPAC name of 3-ethenyl-N-[(E)-2-fluoroprop-1-enyl]-N-methylcyclopent-2-en-1-amine?
The IUPAC name of 3-ethenyl-N-[(E)-2-fluoroprop-1-enyl]-N-methylcyclopent-2-en-1-amine (CID 142929036) is 3-ethenyl-N-[(E)-2-fluoroprop-1-enyl]-N-methylcyclopent-2-en-1-amine.
What is the SMILES notation for 3-ethenyl-N-[(E)-2-fluoroprop-1-enyl]-N-methylcyclopent-2-en-1-amine?
The canonical SMILES for 3-ethenyl-N-[(E)-2-fluoroprop-1-enyl]-N-methylcyclopent-2-en-1-amine is C=CC1=CC(N(C)/C=C(\C)F)CC1.
What is the InChIKey of 3-ethenyl-N-[(E)-2-fluoroprop-1-enyl]-N-methylcyclopent-2-en-1-amine?
The InChIKey is QBUUWVOLUMURES-CMDGGOBGSA-N. The full InChI is InChI=1S/C11H16FN/c1-4-10-5-6-11(7-10)13(3)8-9(2)12/h4,7-8,11H,1,5-6H2,2-3H3/b9-8+.
What are the key properties of 3-ethenyl-N-[(E)-2-fluoroprop-1-enyl]-N-methylcyclopent-2-en-1-amine?
3-ethenyl-N-[(E)-2-fluoroprop-1-enyl]-N-methylcyclopent-2-en-1-amine has a molecular weight of 181.25 g/mol, XLogP of 3.02, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenyl-N-[(E)-2-fluoroprop-1-enyl]-N-methylcyclopent-2-en-1-amine is sourced from PubChem (CID 142929036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).