(Z)-1-(4-fluoro-3,4-dihydro-2H-pyrrol-5-yl)but-1-en-2-amine

C8H13FN2 — CID 162729112

IUPAC(Z)-1-(4-fluoro-3,4-dihydro-2H-pyrrol-5-yl)but-1-en-2-amine
SMILESCC/C(N)=C/C1=NCCC1F
InChIInChI=1S/C8H13FN2/c1-2-6(10)5-8-7(9)3-4-11-8/h5,7H,2-4,10H2,1H3/b6-5-
InChIKeyULNSMMMHGSZVRU-WAYWQWQTSA-N
MW156.20 g/mol
LogP1.42
Rot. Bonds2

About (Z)-1-(4-fluoro-3,4-dihydro-2H-pyrrol-5-yl)but-1-en-2-amine

(Z)-1-(4-fluoro-3,4-dihydro-2H-pyrrol-5-yl)but-1-en-2-amine (PubChem CID 162729112) has the molecular formula C8H13FN2 and a molecular weight of 156.20 g/mol. Its IUPAC name is (Z)-1-(4-fluoro-3,4-dihydro-2H-pyrrol-5-yl)but-1-en-2-amine.

Molecular Properties

Compound Name(Z)-1-(4-fluoro-3,4-dihydro-2H-pyrrol-5-yl)but-1-en-2-amine
PubChem CID162729112
Molecular FormulaC8H13FN2
Molecular Weight156.20 g/mol
Exact Mass156.11
IUPAC Name(Z)-1-(4-fluoro-3,4-dihydro-2H-pyrrol-5-yl)but-1-en-2-amine
SMILESCC/C(N)=C/C1=NCCC1F
InChIInChI=1S/C8H13FN2/c1-2-6(10)5-8-7(9)3-4-11-8/h5,7H,2-4,10H2,1H3/b6-5-
InChIKeyULNSMMMHGSZVRU-WAYWQWQTSA-N
XLogP1.42
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.20
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (Z)-1-(4-fluoro-3,4-dihydro-2H-pyrrol-5-yl)but-1-en-2-amine?
The IUPAC name of (Z)-1-(4-fluoro-3,4-dihydro-2H-pyrrol-5-yl)but-1-en-2-amine (CID 162729112) is (Z)-1-(4-fluoro-3,4-dihydro-2H-pyrrol-5-yl)but-1-en-2-amine.
What is the SMILES notation for (Z)-1-(4-fluoro-3,4-dihydro-2H-pyrrol-5-yl)but-1-en-2-amine?
The canonical SMILES for (Z)-1-(4-fluoro-3,4-dihydro-2H-pyrrol-5-yl)but-1-en-2-amine is CC/C(N)=C/C1=NCCC1F.
What is the InChIKey of (Z)-1-(4-fluoro-3,4-dihydro-2H-pyrrol-5-yl)but-1-en-2-amine?
The InChIKey is ULNSMMMHGSZVRU-WAYWQWQTSA-N. The full InChI is InChI=1S/C8H13FN2/c1-2-6(10)5-8-7(9)3-4-11-8/h5,7H,2-4,10H2,1H3/b6-5-.
What are the key properties of (Z)-1-(4-fluoro-3,4-dihydro-2H-pyrrol-5-yl)but-1-en-2-amine?
(Z)-1-(4-fluoro-3,4-dihydro-2H-pyrrol-5-yl)but-1-en-2-amine has a molecular weight of 156.20 g/mol, XLogP of 1.42, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-(4-fluoro-3,4-dihydro-2H-pyrrol-5-yl)but-1-en-2-amine is sourced from PubChem (CID 162729112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).