(4Z,5E)-2-ethenyl-5-ethylidene-3-[(Z)-prop-1-enyl]-4-prop-2-enylidene-1H-pyrrole

C14H17N — CID 90047980

IUPAC(4Z,5E)-2-ethenyl-5-ethylidene-3-[(Z)-prop-1-enyl]-4-prop-2-enylidene-1H-pyrrole
SMILESC=C/C=c1/c(/C=C\C)c(C=C)[nH]/c1=C/C
InChIInChI=1S/C14H17N/c1-5-9-11-12(10-6-2)14(8-4)15-13(11)7-3/h5-10,15H,1,4H2,2-3H3/b10-6-,11-9-,13-7+
InChIKeyZDCQIYCSYJZAMC-WBRQLMPWSA-N
MW199.30 g/mol
LogP2.46
Rot. Bonds3

About (4Z,5E)-2-ethenyl-5-ethylidene-3-[(Z)-prop-1-enyl]-4-prop-2-enylidene-1H-pyrrole

(4Z,5E)-2-ethenyl-5-ethylidene-3-[(Z)-prop-1-enyl]-4-prop-2-enylidene-1H-pyrrole (PubChem CID 90047980) has the molecular formula C14H17N and a molecular weight of 199.30 g/mol. Its IUPAC name is (4Z,5E)-2-ethenyl-5-ethylidene-3-[(Z)-prop-1-enyl]-4-prop-2-enylidene-1H-pyrrole.

Molecular Properties

Compound Name(4Z,5E)-2-ethenyl-5-ethylidene-3-[(Z)-prop-1-enyl]-4-prop-2-enylidene-1H-pyrrole
PubChem CID90047980
Molecular FormulaC14H17N
Molecular Weight199.30 g/mol
Exact Mass199.14
IUPAC Name(4Z,5E)-2-ethenyl-5-ethylidene-3-[(Z)-prop-1-enyl]-4-prop-2-enylidene-1H-pyrrole
SMILESC=C/C=c1/c(/C=C\C)c(C=C)[nH]/c1=C/C
InChIInChI=1S/C14H17N/c1-5-9-11-12(10-6-2)14(8-4)15-13(11)7-3/h5-10,15H,1,4H2,2-3H3/b10-6-,11-9-,13-7+
InChIKeyZDCQIYCSYJZAMC-WBRQLMPWSA-N
XLogP2.46
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of (4Z,5E)-2-ethenyl-5-ethylidene-3-[(Z)-prop-1-enyl]-4-prop-2-enylidene-1H-pyrrole?
The IUPAC name of (4Z,5E)-2-ethenyl-5-ethylidene-3-[(Z)-prop-1-enyl]-4-prop-2-enylidene-1H-pyrrole (CID 90047980) is (4Z,5E)-2-ethenyl-5-ethylidene-3-[(Z)-prop-1-enyl]-4-prop-2-enylidene-1H-pyrrole.
What is the SMILES notation for (4Z,5E)-2-ethenyl-5-ethylidene-3-[(Z)-prop-1-enyl]-4-prop-2-enylidene-1H-pyrrole?
The canonical SMILES for (4Z,5E)-2-ethenyl-5-ethylidene-3-[(Z)-prop-1-enyl]-4-prop-2-enylidene-1H-pyrrole is C=C/C=c1/c(/C=C\C)c(C=C)[nH]/c1=C/C.
What is the InChIKey of (4Z,5E)-2-ethenyl-5-ethylidene-3-[(Z)-prop-1-enyl]-4-prop-2-enylidene-1H-pyrrole?
The InChIKey is ZDCQIYCSYJZAMC-WBRQLMPWSA-N. The full InChI is InChI=1S/C14H17N/c1-5-9-11-12(10-6-2)14(8-4)15-13(11)7-3/h5-10,15H,1,4H2,2-3H3/b10-6-,11-9-,13-7+.
What are the key properties of (4Z,5E)-2-ethenyl-5-ethylidene-3-[(Z)-prop-1-enyl]-4-prop-2-enylidene-1H-pyrrole?
(4Z,5E)-2-ethenyl-5-ethylidene-3-[(Z)-prop-1-enyl]-4-prop-2-enylidene-1H-pyrrole has a molecular weight of 199.30 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z,5E)-2-ethenyl-5-ethylidene-3-[(Z)-prop-1-enyl]-4-prop-2-enylidene-1H-pyrrole is sourced from PubChem (CID 90047980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).