1-[5-(2-fluorobut-2-enylidene)-4-methylidene-1H-pyrrol-3-yl]-N,N-dimethylmethanamine

C12H17FN2 — CID 123887050

IUPAC1-[5-(2-fluorobut-2-enylidene)-4-methylidene-1H-pyrrol-3-yl]-N,N-dimethylmethanamine
SMILESC=c1c(CN(C)C)c[nH]c1=CC(F)=CC
InChIInChI=1S/C12H17FN2/c1-5-11(13)6-12-9(2)10(7-14-12)8-15(3)4/h5-7,14H,2,8H2,1,3-4H3
InChIKeyUUCVXLBXVBCYEE-UHFFFAOYSA-N
MW208.28 g/mol
LogP1.14
Rot. Bonds3

About 1-[5-(2-fluorobut-2-enylidene)-4-methylidene-1H-pyrrol-3-yl]-N,N-dimethylmethanamine

1-[5-(2-fluorobut-2-enylidene)-4-methylidene-1H-pyrrol-3-yl]-N,N-dimethylmethanamine (PubChem CID 123887050) has the molecular formula C12H17FN2 and a molecular weight of 208.28 g/mol. Its IUPAC name is 1-[5-(2-fluorobut-2-enylidene)-4-methylidene-1H-pyrrol-3-yl]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[5-(2-fluorobut-2-enylidene)-4-methylidene-1H-pyrrol-3-yl]-N,N-dimethylmethanamine
PubChem CID123887050
Molecular FormulaC12H17FN2
Molecular Weight208.28 g/mol
Exact Mass208.14
IUPAC Name1-[5-(2-fluorobut-2-enylidene)-4-methylidene-1H-pyrrol-3-yl]-N,N-dimethylmethanamine
SMILESC=c1c(CN(C)C)c[nH]c1=CC(F)=CC
InChIInChI=1S/C12H17FN2/c1-5-11(13)6-12-9(2)10(7-14-12)8-15(3)4/h5-7,14H,2,8H2,1,3-4H3
InChIKeyUUCVXLBXVBCYEE-UHFFFAOYSA-N
XLogP1.14
TPSA19.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.28
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(2-fluorobut-2-enylidene)-4-methylidene-1H-pyrrol-3-yl]-N,N-dimethylmethanamine?
The IUPAC name of 1-[5-(2-fluorobut-2-enylidene)-4-methylidene-1H-pyrrol-3-yl]-N,N-dimethylmethanamine (CID 123887050) is 1-[5-(2-fluorobut-2-enylidene)-4-methylidene-1H-pyrrol-3-yl]-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[5-(2-fluorobut-2-enylidene)-4-methylidene-1H-pyrrol-3-yl]-N,N-dimethylmethanamine?
The canonical SMILES for 1-[5-(2-fluorobut-2-enylidene)-4-methylidene-1H-pyrrol-3-yl]-N,N-dimethylmethanamine is C=c1c(CN(C)C)c[nH]c1=CC(F)=CC.
What is the InChIKey of 1-[5-(2-fluorobut-2-enylidene)-4-methylidene-1H-pyrrol-3-yl]-N,N-dimethylmethanamine?
The InChIKey is UUCVXLBXVBCYEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2/c1-5-11(13)6-12-9(2)10(7-14-12)8-15(3)4/h5-7,14H,2,8H2,1,3-4H3.
What are the key properties of 1-[5-(2-fluorobut-2-enylidene)-4-methylidene-1H-pyrrol-3-yl]-N,N-dimethylmethanamine?
1-[5-(2-fluorobut-2-enylidene)-4-methylidene-1H-pyrrol-3-yl]-N,N-dimethylmethanamine has a molecular weight of 208.28 g/mol, XLogP of 1.14, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2-fluorobut-2-enylidene)-4-methylidene-1H-pyrrol-3-yl]-N,N-dimethylmethanamine is sourced from PubChem (CID 123887050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).