1-[(3E)-penta-1,3-dien-3-yl]-2,5-bis[(Z)-prop-1-enyl]pyrrole

C15H19N — CID 171596789

IUPAC1-[(3E)-penta-1,3-dien-3-yl]-2,5-bis[(Z)-prop-1-enyl]pyrrole
SMILESC=C/C(=C\C)n1c(/C=C\C)ccc1/C=C\C
InChIInChI=1S/C15H19N/c1-5-9-14-11-12-15(10-6-2)16(14)13(7-3)8-4/h5-12H,3H2,1-2,4H3/b9-5-,10-6-,13-8+
InChIKeyJKTZQQDUDCNIGQ-TWYALZNUSA-N
MW213.32 g/mol
LogP4.60
Rot. Bonds4

About 1-[(3E)-penta-1,3-dien-3-yl]-2,5-bis[(Z)-prop-1-enyl]pyrrole

1-[(3E)-penta-1,3-dien-3-yl]-2,5-bis[(Z)-prop-1-enyl]pyrrole (PubChem CID 171596789) has the molecular formula C15H19N and a molecular weight of 213.32 g/mol. Its IUPAC name is 1-[(3E)-penta-1,3-dien-3-yl]-2,5-bis[(Z)-prop-1-enyl]pyrrole.

Molecular Properties

Compound Name1-[(3E)-penta-1,3-dien-3-yl]-2,5-bis[(Z)-prop-1-enyl]pyrrole
PubChem CID171596789
Molecular FormulaC15H19N
Molecular Weight213.32 g/mol
Exact Mass213.15
IUPAC Name1-[(3E)-penta-1,3-dien-3-yl]-2,5-bis[(Z)-prop-1-enyl]pyrrole
SMILESC=C/C(=C\C)n1c(/C=C\C)ccc1/C=C\C
InChIInChI=1S/C15H19N/c1-5-9-14-11-12-15(10-6-2)16(14)13(7-3)8-4/h5-12H,3H2,1-2,4H3/b9-5-,10-6-,13-8+
InChIKeyJKTZQQDUDCNIGQ-TWYALZNUSA-N
XLogP4.60
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

1-[(2E,4Z)-5-methylhepta-2,4,6-trien-3-yl]-2,5-dimethylidenepyrrole
CID 130374274
11-[(3E)-penta-1,3-dien-3-yl]-5-phenylindolo[3,2-b]carbazole
CID 126538258
3-[(Z)-but-1-enyl]-1-[(2E,4E)-5-[3-ethenyl-2,4,5-tris[(Z)-prop-1-enyl]pyrrol-1-yl]hepta-2,4,6-trien-3-yl]-2-[(Z)-prop-1-enyl]indole
CID 143953082
1-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-2,5-dimethylidenepyrrole
CID 134505198
1-ethenyl-5-[(Z)-prop-1-enyl]imidazol-2-amine
CID 118448154
1,4-bis[(E)-prop-1-enyl]cyclopenta-1,3-diene
CID 59289880
buta-1,3-diene;bis(prop-1-enylbenzene)
CID 172716960
2-methylprop-1-ene;prop-1-enylbenzene
CID 159398711
9-dibenzothiophen-4-yl-18-[(3E)-penta-1,3-dien-3-yl]-9,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene
CID 126538238
(E)-3-[1-methyl-5-[(E)-prop-1-enyl]pyrrol-2-yl]-1-thiophen-3-ylprop-2-en-1-one
CID 146349834
11,12-bis(ethenyl)-13-[(3E)-penta-1,3-dien-3-yl]-8-phenyl-8,10,13,15-tetrazatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2,4,6,11,14-hexaene
CID 154646800
N-methyl-1-[2-[(Z)-prop-1-enyl]pyrrol-1-yl]methanimine
CID 178004050

Frequently Asked Questions

What is the IUPAC name of 1-[(3E)-penta-1,3-dien-3-yl]-2,5-bis[(Z)-prop-1-enyl]pyrrole?
The IUPAC name of 1-[(3E)-penta-1,3-dien-3-yl]-2,5-bis[(Z)-prop-1-enyl]pyrrole (CID 171596789) is 1-[(3E)-penta-1,3-dien-3-yl]-2,5-bis[(Z)-prop-1-enyl]pyrrole.
What is the SMILES notation for 1-[(3E)-penta-1,3-dien-3-yl]-2,5-bis[(Z)-prop-1-enyl]pyrrole?
The canonical SMILES for 1-[(3E)-penta-1,3-dien-3-yl]-2,5-bis[(Z)-prop-1-enyl]pyrrole is C=C/C(=C\C)n1c(/C=C\C)ccc1/C=C\C.
What is the InChIKey of 1-[(3E)-penta-1,3-dien-3-yl]-2,5-bis[(Z)-prop-1-enyl]pyrrole?
The InChIKey is JKTZQQDUDCNIGQ-TWYALZNUSA-N. The full InChI is InChI=1S/C15H19N/c1-5-9-14-11-12-15(10-6-2)16(14)13(7-3)8-4/h5-12H,3H2,1-2,4H3/b9-5-,10-6-,13-8+.
What are the key properties of 1-[(3E)-penta-1,3-dien-3-yl]-2,5-bis[(Z)-prop-1-enyl]pyrrole?
1-[(3E)-penta-1,3-dien-3-yl]-2,5-bis[(Z)-prop-1-enyl]pyrrole has a molecular weight of 213.32 g/mol, XLogP of 4.60, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3E)-penta-1,3-dien-3-yl]-2,5-bis[(Z)-prop-1-enyl]pyrrole is sourced from PubChem (CID 171596789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).