1-pentadecan-8-yl-4,5-bis[(Z)-prop-1-enyl]-2,3-dihydropyrrole

C25H45N — CID 130296211

IUPAC1-pentadecan-8-yl-4,5-bis[(Z)-prop-1-enyl]-2,3-dihydropyrrole
SMILESC/C=C\C1=C(/C=C\C)N(C(CCCCCCC)CCCCCCC)CC1
InChIInChI=1S/C25H45N/c1-5-9-11-13-15-19-24(20-16-14-12-10-6-2)26-22-21-23(17-7-3)25(26)18-8-4/h7-8,17-18,24H,5-6,9-16,19-22H2,1-4H3/b17-7-,18-8-
InChIKeyNBHMHTMIOLVPII-MZAUSLISSA-N
MW359.64 g/mol
LogP8.19
Rot. Bonds15

About 1-pentadecan-8-yl-4,5-bis[(Z)-prop-1-enyl]-2,3-dihydropyrrole

1-pentadecan-8-yl-4,5-bis[(Z)-prop-1-enyl]-2,3-dihydropyrrole (PubChem CID 130296211) has the molecular formula C25H45N and a molecular weight of 359.64 g/mol. Its IUPAC name is 1-pentadecan-8-yl-4,5-bis[(Z)-prop-1-enyl]-2,3-dihydropyrrole.

Molecular Properties

Compound Name1-pentadecan-8-yl-4,5-bis[(Z)-prop-1-enyl]-2,3-dihydropyrrole
PubChem CID130296211
Molecular FormulaC25H45N
Molecular Weight359.64 g/mol
Exact Mass359.36
IUPAC Name1-pentadecan-8-yl-4,5-bis[(Z)-prop-1-enyl]-2,3-dihydropyrrole
SMILESC/C=C\C1=C(/C=C\C)N(C(CCCCCCC)CCCCCCC)CC1
InChIInChI=1S/C25H45N/c1-5-9-11-13-15-19-24(20-16-14-12-10-6-2)26-22-21-23(17-7-3)25(26)18-8-4/h7-8,17-18,24H,5-6,9-16,19-22H2,1-4H3/b17-7-,18-8-
InChIKeyNBHMHTMIOLVPII-MZAUSLISSA-N
XLogP8.19
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.64
LogP ≤ 58.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-pentadecan-8-yl-4,5-bis[(Z)-prop-1-enyl]-2,3-dihydropyrrole?
The IUPAC name of 1-pentadecan-8-yl-4,5-bis[(Z)-prop-1-enyl]-2,3-dihydropyrrole (CID 130296211) is 1-pentadecan-8-yl-4,5-bis[(Z)-prop-1-enyl]-2,3-dihydropyrrole.
What is the SMILES notation for 1-pentadecan-8-yl-4,5-bis[(Z)-prop-1-enyl]-2,3-dihydropyrrole?
The canonical SMILES for 1-pentadecan-8-yl-4,5-bis[(Z)-prop-1-enyl]-2,3-dihydropyrrole is C/C=C\C1=C(/C=C\C)N(C(CCCCCCC)CCCCCCC)CC1.
What is the InChIKey of 1-pentadecan-8-yl-4,5-bis[(Z)-prop-1-enyl]-2,3-dihydropyrrole?
The InChIKey is NBHMHTMIOLVPII-MZAUSLISSA-N. The full InChI is InChI=1S/C25H45N/c1-5-9-11-13-15-19-24(20-16-14-12-10-6-2)26-22-21-23(17-7-3)25(26)18-8-4/h7-8,17-18,24H,5-6,9-16,19-22H2,1-4H3/b17-7-,18-8-.
What are the key properties of 1-pentadecan-8-yl-4,5-bis[(Z)-prop-1-enyl]-2,3-dihydropyrrole?
1-pentadecan-8-yl-4,5-bis[(Z)-prop-1-enyl]-2,3-dihydropyrrole has a molecular weight of 359.64 g/mol, XLogP of 8.19, 15 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pentadecan-8-yl-4,5-bis[(Z)-prop-1-enyl]-2,3-dihydropyrrole is sourced from PubChem (CID 130296211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).