(Z)-[1-ethenyl-5-(3-fluoro-4-methoxyphenyl)pyrrolidin-2-ylidene]methanamine

C14H17FN2O — CID 89001120

IUPAC(Z)-[1-ethenyl-5-(3-fluoro-4-methoxyphenyl)pyrrolidin-2-ylidene]methanamine
SMILESC=CN1/C(=C\N)CCC1c1ccc(OC)c(F)c1
InChIInChI=1S/C14H17FN2O/c1-3-17-11(9-16)5-6-13(17)10-4-7-14(18-2)12(15)8-10/h3-4,7-9,13H,1,5-6,16H2,2H3/b11-9-
InChIKeyKUGIJCNWZWJWOH-LUAWRHEFSA-N
MW248.30 g/mol
LogP2.91
Rot. Bonds3

About (Z)-[1-ethenyl-5-(3-fluoro-4-methoxyphenyl)pyrrolidin-2-ylidene]methanamine

(Z)-[1-ethenyl-5-(3-fluoro-4-methoxyphenyl)pyrrolidin-2-ylidene]methanamine (PubChem CID 89001120) has the molecular formula C14H17FN2O and a molecular weight of 248.30 g/mol. Its IUPAC name is (Z)-[1-ethenyl-5-(3-fluoro-4-methoxyphenyl)pyrrolidin-2-ylidene]methanamine.

Molecular Properties

Compound Name(Z)-[1-ethenyl-5-(3-fluoro-4-methoxyphenyl)pyrrolidin-2-ylidene]methanamine
PubChem CID89001120
Molecular FormulaC14H17FN2O
Molecular Weight248.30 g/mol
Exact Mass248.13
IUPAC Name(Z)-[1-ethenyl-5-(3-fluoro-4-methoxyphenyl)pyrrolidin-2-ylidene]methanamine
SMILESC=CN1/C(=C\N)CCC1c1ccc(OC)c(F)c1
InChIInChI=1S/C14H17FN2O/c1-3-17-11(9-16)5-6-13(17)10-4-7-14(18-2)12(15)8-10/h3-4,7-9,13H,1,5-6,16H2,2H3/b11-9-
InChIKeyKUGIJCNWZWJWOH-LUAWRHEFSA-N
XLogP2.91
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.30
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (Z)-[1-ethenyl-5-(3-fluoro-4-methoxyphenyl)pyrrolidin-2-ylidene]methanamine?
The IUPAC name of (Z)-[1-ethenyl-5-(3-fluoro-4-methoxyphenyl)pyrrolidin-2-ylidene]methanamine (CID 89001120) is (Z)-[1-ethenyl-5-(3-fluoro-4-methoxyphenyl)pyrrolidin-2-ylidene]methanamine.
What is the SMILES notation for (Z)-[1-ethenyl-5-(3-fluoro-4-methoxyphenyl)pyrrolidin-2-ylidene]methanamine?
The canonical SMILES for (Z)-[1-ethenyl-5-(3-fluoro-4-methoxyphenyl)pyrrolidin-2-ylidene]methanamine is C=CN1/C(=C\N)CCC1c1ccc(OC)c(F)c1.
What is the InChIKey of (Z)-[1-ethenyl-5-(3-fluoro-4-methoxyphenyl)pyrrolidin-2-ylidene]methanamine?
The InChIKey is KUGIJCNWZWJWOH-LUAWRHEFSA-N. The full InChI is InChI=1S/C14H17FN2O/c1-3-17-11(9-16)5-6-13(17)10-4-7-14(18-2)12(15)8-10/h3-4,7-9,13H,1,5-6,16H2,2H3/b11-9-.
What are the key properties of (Z)-[1-ethenyl-5-(3-fluoro-4-methoxyphenyl)pyrrolidin-2-ylidene]methanamine?
(Z)-[1-ethenyl-5-(3-fluoro-4-methoxyphenyl)pyrrolidin-2-ylidene]methanamine has a molecular weight of 248.30 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-[1-ethenyl-5-(3-fluoro-4-methoxyphenyl)pyrrolidin-2-ylidene]methanamine is sourced from PubChem (CID 89001120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).