1-[(4Z,5E)-3-ethenyl-4,5-bis(prop-2-enylidene)-1H-pyrrol-2-yl]ethenol

C14H15NO — CID 129095035

IUPAC1-[(4Z,5E)-3-ethenyl-4,5-bis(prop-2-enylidene)-1H-pyrrol-2-yl]ethenol
SMILESC=C/C=c1/c(C=C)c(C(=C)O)[nH]/c1=C/C=C
InChIInChI=1S/C14H15NO/c1-5-8-12-11(7-3)14(10(4)16)15-13(12)9-6-2/h5-9,15-16H,1-4H2/b12-8-,13-9+
InChIKeyKOSXTERJKLRVJD-QRBCZBMESA-N
MW213.28 g/mol
LogP2.12
Rot. Bonds4

About 1-[(4Z,5E)-3-ethenyl-4,5-bis(prop-2-enylidene)-1H-pyrrol-2-yl]ethenol

1-[(4Z,5E)-3-ethenyl-4,5-bis(prop-2-enylidene)-1H-pyrrol-2-yl]ethenol (PubChem CID 129095035) has the molecular formula C14H15NO and a molecular weight of 213.28 g/mol. Its IUPAC name is 1-[(4Z,5E)-3-ethenyl-4,5-bis(prop-2-enylidene)-1H-pyrrol-2-yl]ethenol.

Molecular Properties

Compound Name1-[(4Z,5E)-3-ethenyl-4,5-bis(prop-2-enylidene)-1H-pyrrol-2-yl]ethenol
PubChem CID129095035
Molecular FormulaC14H15NO
Molecular Weight213.28 g/mol
Exact Mass213.12
IUPAC Name1-[(4Z,5E)-3-ethenyl-4,5-bis(prop-2-enylidene)-1H-pyrrol-2-yl]ethenol
SMILESC=C/C=c1/c(C=C)c(C(=C)O)[nH]/c1=C/C=C
InChIInChI=1S/C14H15NO/c1-5-8-12-11(7-3)14(10(4)16)15-13(12)9-6-2/h5-9,15-16H,1-4H2/b12-8-,13-9+
InChIKeyKOSXTERJKLRVJD-QRBCZBMESA-N
XLogP2.12
TPSA36.02 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(4Z,5E)-3-ethenyl-4,5-bis(prop-2-enylidene)-1H-pyrrol-2-yl]ethenol?
The IUPAC name of 1-[(4Z,5E)-3-ethenyl-4,5-bis(prop-2-enylidene)-1H-pyrrol-2-yl]ethenol (CID 129095035) is 1-[(4Z,5E)-3-ethenyl-4,5-bis(prop-2-enylidene)-1H-pyrrol-2-yl]ethenol.
What is the SMILES notation for 1-[(4Z,5E)-3-ethenyl-4,5-bis(prop-2-enylidene)-1H-pyrrol-2-yl]ethenol?
The canonical SMILES for 1-[(4Z,5E)-3-ethenyl-4,5-bis(prop-2-enylidene)-1H-pyrrol-2-yl]ethenol is C=C/C=c1/c(C=C)c(C(=C)O)[nH]/c1=C/C=C.
What is the InChIKey of 1-[(4Z,5E)-3-ethenyl-4,5-bis(prop-2-enylidene)-1H-pyrrol-2-yl]ethenol?
The InChIKey is KOSXTERJKLRVJD-QRBCZBMESA-N. The full InChI is InChI=1S/C14H15NO/c1-5-8-12-11(7-3)14(10(4)16)15-13(12)9-6-2/h5-9,15-16H,1-4H2/b12-8-,13-9+.
What are the key properties of 1-[(4Z,5E)-3-ethenyl-4,5-bis(prop-2-enylidene)-1H-pyrrol-2-yl]ethenol?
1-[(4Z,5E)-3-ethenyl-4,5-bis(prop-2-enylidene)-1H-pyrrol-2-yl]ethenol has a molecular weight of 213.28 g/mol, XLogP of 2.12, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4Z,5E)-3-ethenyl-4,5-bis(prop-2-enylidene)-1H-pyrrol-2-yl]ethenol is sourced from PubChem (CID 129095035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).