(Z)-2-[1-(2,5-dihydro-1H-pyrrol-3-yl)ethenylsulfanyl]ethenamine

C8H12N2S — CID 89045052

IUPAC(Z)-2-[1-(2,5-dihydro-1H-pyrrol-3-yl)ethenylsulfanyl]ethenamine
SMILESC=C(S/C=C\N)C1=CCNC1
InChIInChI=1S/C8H12N2S/c1-7(11-5-3-9)8-2-4-10-6-8/h2-3,5,10H,1,4,6,9H2/b5-3-
InChIKeyMVSKPPLHZSUVFJ-HYXAFXHYSA-N
MW168.26 g/mol
LogP1.19
Rot. Bonds3

About (Z)-2-[1-(2,5-dihydro-1H-pyrrol-3-yl)ethenylsulfanyl]ethenamine

(Z)-2-[1-(2,5-dihydro-1H-pyrrol-3-yl)ethenylsulfanyl]ethenamine (PubChem CID 89045052) has the molecular formula C8H12N2S and a molecular weight of 168.26 g/mol. Its IUPAC name is (Z)-2-[1-(2,5-dihydro-1H-pyrrol-3-yl)ethenylsulfanyl]ethenamine.

Molecular Properties

Compound Name(Z)-2-[1-(2,5-dihydro-1H-pyrrol-3-yl)ethenylsulfanyl]ethenamine
PubChem CID89045052
Molecular FormulaC8H12N2S
Molecular Weight168.26 g/mol
Exact Mass168.07
IUPAC Name(Z)-2-[1-(2,5-dihydro-1H-pyrrol-3-yl)ethenylsulfanyl]ethenamine
SMILESC=C(S/C=C\N)C1=CCNC1
InChIInChI=1S/C8H12N2S/c1-7(11-5-3-9)8-2-4-10-6-8/h2-3,5,10H,1,4,6,9H2/b5-3-
InChIKeyMVSKPPLHZSUVFJ-HYXAFXHYSA-N
XLogP1.19
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.26
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (Z)-2-[1-(2,5-dihydro-1H-pyrrol-3-yl)ethenylsulfanyl]ethenamine?
The IUPAC name of (Z)-2-[1-(2,5-dihydro-1H-pyrrol-3-yl)ethenylsulfanyl]ethenamine (CID 89045052) is (Z)-2-[1-(2,5-dihydro-1H-pyrrol-3-yl)ethenylsulfanyl]ethenamine.
What is the SMILES notation for (Z)-2-[1-(2,5-dihydro-1H-pyrrol-3-yl)ethenylsulfanyl]ethenamine?
The canonical SMILES for (Z)-2-[1-(2,5-dihydro-1H-pyrrol-3-yl)ethenylsulfanyl]ethenamine is C=C(S/C=C\N)C1=CCNC1.
What is the InChIKey of (Z)-2-[1-(2,5-dihydro-1H-pyrrol-3-yl)ethenylsulfanyl]ethenamine?
The InChIKey is MVSKPPLHZSUVFJ-HYXAFXHYSA-N. The full InChI is InChI=1S/C8H12N2S/c1-7(11-5-3-9)8-2-4-10-6-8/h2-3,5,10H,1,4,6,9H2/b5-3-.
What are the key properties of (Z)-2-[1-(2,5-dihydro-1H-pyrrol-3-yl)ethenylsulfanyl]ethenamine?
(Z)-2-[1-(2,5-dihydro-1H-pyrrol-3-yl)ethenylsulfanyl]ethenamine has a molecular weight of 168.26 g/mol, XLogP of 1.19, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-[1-(2,5-dihydro-1H-pyrrol-3-yl)ethenylsulfanyl]ethenamine is sourced from PubChem (CID 89045052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).