2-[(4Z,5E)-4,5-di(ethylidene)-1H-pyrrol-3-yl]ethanamine

C10H16N2 — CID 126739660

IUPAC2-[(4Z,5E)-4,5-di(ethylidene)-1H-pyrrol-3-yl]ethanamine
SMILESC/C=c1/c(CCN)c[nH]/c1=C/C
InChIInChI=1S/C10H16N2/c1-3-9-8(5-6-11)7-12-10(9)4-2/h3-4,7,12H,5-6,11H2,1-2H3/b9-3-,10-4+
InChIKeyPKOAFXOGKJZJAT-INWPEIIHSA-N
MW164.25 g/mol
LogP0.12
Rot. Bonds2

About 2-[(4Z,5E)-4,5-di(ethylidene)-1H-pyrrol-3-yl]ethanamine

2-[(4Z,5E)-4,5-di(ethylidene)-1H-pyrrol-3-yl]ethanamine (PubChem CID 126739660) has the molecular formula C10H16N2 and a molecular weight of 164.25 g/mol. Its IUPAC name is 2-[(4Z,5E)-4,5-di(ethylidene)-1H-pyrrol-3-yl]ethanamine.

Molecular Properties

Compound Name2-[(4Z,5E)-4,5-di(ethylidene)-1H-pyrrol-3-yl]ethanamine
PubChem CID126739660
Molecular FormulaC10H16N2
Molecular Weight164.25 g/mol
Exact Mass164.13
IUPAC Name2-[(4Z,5E)-4,5-di(ethylidene)-1H-pyrrol-3-yl]ethanamine
SMILESC/C=c1/c(CCN)c[nH]/c1=C/C
InChIInChI=1S/C10H16N2/c1-3-9-8(5-6-11)7-12-10(9)4-2/h3-4,7,12H,5-6,11H2,1-2H3/b9-3-,10-4+
InChIKeyPKOAFXOGKJZJAT-INWPEIIHSA-N
XLogP0.12
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[(4Z,5E)-4,5-di(ethylidene)-1H-pyrrol-3-yl]ethanamine?
The IUPAC name of 2-[(4Z,5E)-4,5-di(ethylidene)-1H-pyrrol-3-yl]ethanamine (CID 126739660) is 2-[(4Z,5E)-4,5-di(ethylidene)-1H-pyrrol-3-yl]ethanamine.
What is the SMILES notation for 2-[(4Z,5E)-4,5-di(ethylidene)-1H-pyrrol-3-yl]ethanamine?
The canonical SMILES for 2-[(4Z,5E)-4,5-di(ethylidene)-1H-pyrrol-3-yl]ethanamine is C/C=c1/c(CCN)c[nH]/c1=C/C.
What is the InChIKey of 2-[(4Z,5E)-4,5-di(ethylidene)-1H-pyrrol-3-yl]ethanamine?
The InChIKey is PKOAFXOGKJZJAT-INWPEIIHSA-N. The full InChI is InChI=1S/C10H16N2/c1-3-9-8(5-6-11)7-12-10(9)4-2/h3-4,7,12H,5-6,11H2,1-2H3/b9-3-,10-4+.
What are the key properties of 2-[(4Z,5E)-4,5-di(ethylidene)-1H-pyrrol-3-yl]ethanamine?
2-[(4Z,5E)-4,5-di(ethylidene)-1H-pyrrol-3-yl]ethanamine has a molecular weight of 164.25 g/mol, XLogP of 0.12, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4Z,5E)-4,5-di(ethylidene)-1H-pyrrol-3-yl]ethanamine is sourced from PubChem (CID 126739660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).