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

C11H18N2 — CID 142159323

IUPAC2-[(4Z,5E)-4-ethylidene-5-propylidene-1H-pyrrol-3-yl]ethanamine
SMILESC/C=c1/c(CCN)c[nH]/c1=C/CC
InChIInChI=1S/C11H18N2/c1-3-5-11-10(4-2)9(6-7-12)8-13-11/h4-5,8,13H,3,6-7,12H2,1-2H3/b10-4-,11-5+
InChIKeyZFNNMIOSUJCPDO-WIZYTBDYSA-N
MW178.28 g/mol
LogP0.51
Rot. Bonds3

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

2-[(4Z,5E)-4-ethylidene-5-propylidene-1H-pyrrol-3-yl]ethanamine (PubChem CID 142159323) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is 2-[(4Z,5E)-4-ethylidene-5-propylidene-1H-pyrrol-3-yl]ethanamine.

Molecular Properties

Compound Name2-[(4Z,5E)-4-ethylidene-5-propylidene-1H-pyrrol-3-yl]ethanamine
PubChem CID142159323
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC Name2-[(4Z,5E)-4-ethylidene-5-propylidene-1H-pyrrol-3-yl]ethanamine
SMILESC/C=c1/c(CCN)c[nH]/c1=C/CC
InChIInChI=1S/C11H18N2/c1-3-5-11-10(4-2)9(6-7-12)8-13-11/h4-5,8,13H,3,6-7,12H2,1-2H3/b10-4-,11-5+
InChIKeyZFNNMIOSUJCPDO-WIZYTBDYSA-N
XLogP0.51
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 50.51
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-ethylidene-5-propylidene-1H-pyrrol-3-yl]ethanamine?
The IUPAC name of 2-[(4Z,5E)-4-ethylidene-5-propylidene-1H-pyrrol-3-yl]ethanamine (CID 142159323) is 2-[(4Z,5E)-4-ethylidene-5-propylidene-1H-pyrrol-3-yl]ethanamine.
What is the SMILES notation for 2-[(4Z,5E)-4-ethylidene-5-propylidene-1H-pyrrol-3-yl]ethanamine?
The canonical SMILES for 2-[(4Z,5E)-4-ethylidene-5-propylidene-1H-pyrrol-3-yl]ethanamine is C/C=c1/c(CCN)c[nH]/c1=C/CC.
What is the InChIKey of 2-[(4Z,5E)-4-ethylidene-5-propylidene-1H-pyrrol-3-yl]ethanamine?
The InChIKey is ZFNNMIOSUJCPDO-WIZYTBDYSA-N. The full InChI is InChI=1S/C11H18N2/c1-3-5-11-10(4-2)9(6-7-12)8-13-11/h4-5,8,13H,3,6-7,12H2,1-2H3/b10-4-,11-5+.
What are the key properties of 2-[(4Z,5E)-4-ethylidene-5-propylidene-1H-pyrrol-3-yl]ethanamine?
2-[(4Z,5E)-4-ethylidene-5-propylidene-1H-pyrrol-3-yl]ethanamine has a molecular weight of 178.28 g/mol, XLogP of 0.51, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4Z,5E)-4-ethylidene-5-propylidene-1H-pyrrol-3-yl]ethanamine is sourced from PubChem (CID 142159323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).