2,5-bis(ethenyl)-1-[(5Z,9Z,11Z)-11-methyltetradeca-1,5,9,11,13-pentaen-3-yl]-3,4-dipropyl-2,3-dihydropyrrole

C29H43N — CID 89223612

IUPAC2,5-bis(ethenyl)-1-[(5Z,9Z,11Z)-11-methyltetradeca-1,5,9,11,13-pentaen-3-yl]-3,4-dipropyl-2,3-dihydropyrrole
SMILESC=C/C=C(C)\C=C/CC/C=C\CC(C=C)N1C(C=C)=C(CCC)C(CCC)C1C=C
InChIInChI=1S/C29H43N/c1-8-19-24(7)22-17-15-14-16-18-23-25(11-4)30-28(12-5)26(20-9-2)27(21-10-3)29(30)13-6/h8,11-13,16-19,22,25-26,28H,1,4-6,9-10,14-15,20-21,23H2,2-3,7H3/b18-16-,22-17-,24-19-
InChIKeyRTIDZLZNXAMKRN-RIQJUXCFSA-N
MW405.67 g/mol
LogP8.48
Rot. Bonds15

About 2,5-bis(ethenyl)-1-[(5Z,9Z,11Z)-11-methyltetradeca-1,5,9,11,13-pentaen-3-yl]-3,4-dipropyl-2,3-dihydropyrrole

2,5-bis(ethenyl)-1-[(5Z,9Z,11Z)-11-methyltetradeca-1,5,9,11,13-pentaen-3-yl]-3,4-dipropyl-2,3-dihydropyrrole (PubChem CID 89223612) has the molecular formula C29H43N and a molecular weight of 405.67 g/mol. Its IUPAC name is 2,5-bis(ethenyl)-1-[(5Z,9Z,11Z)-11-methyltetradeca-1,5,9,11,13-pentaen-3-yl]-3,4-dipropyl-2,3-dihydropyrrole.

Molecular Properties

Compound Name2,5-bis(ethenyl)-1-[(5Z,9Z,11Z)-11-methyltetradeca-1,5,9,11,13-pentaen-3-yl]-3,4-dipropyl-2,3-dihydropyrrole
PubChem CID89223612
Molecular FormulaC29H43N
Molecular Weight405.67 g/mol
Exact Mass405.34
IUPAC Name2,5-bis(ethenyl)-1-[(5Z,9Z,11Z)-11-methyltetradeca-1,5,9,11,13-pentaen-3-yl]-3,4-dipropyl-2,3-dihydropyrrole
SMILESC=C/C=C(C)\C=C/CC/C=C\CC(C=C)N1C(C=C)=C(CCC)C(CCC)C1C=C
InChIInChI=1S/C29H43N/c1-8-19-24(7)22-17-15-14-16-18-23-25(11-4)30-28(12-5)26(20-9-2)27(21-10-3)29(30)13-6/h8,11-13,16-19,22,25-26,28H,1,4-6,9-10,14-15,20-21,23H2,2-3,7H3/b18-16-,22-17-,24-19-
InChIKeyRTIDZLZNXAMKRN-RIQJUXCFSA-N
XLogP8.48
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.67
LogP ≤ 58.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,5-bis(ethenyl)-1-[(5Z,9Z,11Z)-11-methyltetradeca-1,5,9,11,13-pentaen-3-yl]-3,4-dipropyl-2,3-dihydropyrrole?
The IUPAC name of 2,5-bis(ethenyl)-1-[(5Z,9Z,11Z)-11-methyltetradeca-1,5,9,11,13-pentaen-3-yl]-3,4-dipropyl-2,3-dihydropyrrole (CID 89223612) is 2,5-bis(ethenyl)-1-[(5Z,9Z,11Z)-11-methyltetradeca-1,5,9,11,13-pentaen-3-yl]-3,4-dipropyl-2,3-dihydropyrrole.
What is the SMILES notation for 2,5-bis(ethenyl)-1-[(5Z,9Z,11Z)-11-methyltetradeca-1,5,9,11,13-pentaen-3-yl]-3,4-dipropyl-2,3-dihydropyrrole?
The canonical SMILES for 2,5-bis(ethenyl)-1-[(5Z,9Z,11Z)-11-methyltetradeca-1,5,9,11,13-pentaen-3-yl]-3,4-dipropyl-2,3-dihydropyrrole is C=C/C=C(C)\C=C/CC/C=C\CC(C=C)N1C(C=C)=C(CCC)C(CCC)C1C=C.
What is the InChIKey of 2,5-bis(ethenyl)-1-[(5Z,9Z,11Z)-11-methyltetradeca-1,5,9,11,13-pentaen-3-yl]-3,4-dipropyl-2,3-dihydropyrrole?
The InChIKey is RTIDZLZNXAMKRN-RIQJUXCFSA-N. The full InChI is InChI=1S/C29H43N/c1-8-19-24(7)22-17-15-14-16-18-23-25(11-4)30-28(12-5)26(20-9-2)27(21-10-3)29(30)13-6/h8,11-13,16-19,22,25-26,28H,1,4-6,9-10,14-15,20-21,23H2,2-3,7H3/b18-16-,22-17-,24-19-.
What are the key properties of 2,5-bis(ethenyl)-1-[(5Z,9Z,11Z)-11-methyltetradeca-1,5,9,11,13-pentaen-3-yl]-3,4-dipropyl-2,3-dihydropyrrole?
2,5-bis(ethenyl)-1-[(5Z,9Z,11Z)-11-methyltetradeca-1,5,9,11,13-pentaen-3-yl]-3,4-dipropyl-2,3-dihydropyrrole has a molecular weight of 405.67 g/mol, XLogP of 8.48, 15 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis(ethenyl)-1-[(5Z,9Z,11Z)-11-methyltetradeca-1,5,9,11,13-pentaen-3-yl]-3,4-dipropyl-2,3-dihydropyrrole is sourced from PubChem (CID 89223612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).