1-methyl-2-[(3E,5E,7Z)-3,4,5,6,7-pentamethyl-8-(1-methyl-3,4-dihydro-2H-pyrrol-1-ium-5-yl)nona-3,5,7-trien-2-ylidene]pyrrolidine

C24H39N2+ — CID 159427217

IUPAC1-methyl-2-[(3E,5E,7Z)-3,4,5,6,7-pentamethyl-8-(1-methyl-3,4-dihydro-2H-pyrrol-1-ium-5-yl)nona-3,5,7-trien-2-ylidene]pyrrolidine
SMILESCC(=C1CCCN1C)/C(C)=C(C)/C(C)=C(C)/C(C)=C(/C)C1=[N+](C)CCC1
InChIInChI=1S/C24H39N2/c1-16(17(2)19(4)21(6)23-12-10-14-25(23)8)18(3)20(5)22(7)24-13-11-15-26(24)9/h10-15H2,1-9H3/q+1
InChIKeyUXYPOYKKGACWRC-UHFFFAOYSA-N
MW355.59 g/mol
LogP5.87
Rot. Bonds4

About 1-methyl-2-[(3E,5E,7Z)-3,4,5,6,7-pentamethyl-8-(1-methyl-3,4-dihydro-2H-pyrrol-1-ium-5-yl)nona-3,5,7-trien-2-ylidene]pyrrolidine

1-methyl-2-[(3E,5E,7Z)-3,4,5,6,7-pentamethyl-8-(1-methyl-3,4-dihydro-2H-pyrrol-1-ium-5-yl)nona-3,5,7-trien-2-ylidene]pyrrolidine (PubChem CID 159427217) has the molecular formula C24H39N2+ and a molecular weight of 355.59 g/mol. Its IUPAC name is 1-methyl-2-[(3E,5E,7Z)-3,4,5,6,7-pentamethyl-8-(1-methyl-3,4-dihydro-2H-pyrrol-1-ium-5-yl)nona-3,5,7-trien-2-ylidene]pyrrolidine.

Molecular Properties

Compound Name1-methyl-2-[(3E,5E,7Z)-3,4,5,6,7-pentamethyl-8-(1-methyl-3,4-dihydro-2H-pyrrol-1-ium-5-yl)nona-3,5,7-trien-2-ylidene]pyrrolidine
PubChem CID159427217
Molecular FormulaC24H39N2+
Molecular Weight355.59 g/mol
Exact Mass355.31
IUPAC Name1-methyl-2-[(3E,5E,7Z)-3,4,5,6,7-pentamethyl-8-(1-methyl-3,4-dihydro-2H-pyrrol-1-ium-5-yl)nona-3,5,7-trien-2-ylidene]pyrrolidine
SMILESCC(=C1CCCN1C)/C(C)=C(C)/C(C)=C(C)/C(C)=C(/C)C1=[N+](C)CCC1
InChIInChI=1S/C24H39N2/c1-16(17(2)19(4)21(6)23-12-10-14-25(23)8)18(3)20(5)22(7)24-13-11-15-26(24)9/h10-15H2,1-9H3/q+1
InChIKeyUXYPOYKKGACWRC-UHFFFAOYSA-N
XLogP5.87
TPSA6.25 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.59
LogP ≤ 55.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-[(3E,5E,7Z)-3,4,5,6,7-pentamethyl-8-(1-methyl-3,4-dihydro-2H-pyrrol-1-ium-5-yl)nona-3,5,7-trien-2-ylidene]pyrrolidine?
The IUPAC name of 1-methyl-2-[(3E,5E,7Z)-3,4,5,6,7-pentamethyl-8-(1-methyl-3,4-dihydro-2H-pyrrol-1-ium-5-yl)nona-3,5,7-trien-2-ylidene]pyrrolidine (CID 159427217) is 1-methyl-2-[(3E,5E,7Z)-3,4,5,6,7-pentamethyl-8-(1-methyl-3,4-dihydro-2H-pyrrol-1-ium-5-yl)nona-3,5,7-trien-2-ylidene]pyrrolidine.
What is the SMILES notation for 1-methyl-2-[(3E,5E,7Z)-3,4,5,6,7-pentamethyl-8-(1-methyl-3,4-dihydro-2H-pyrrol-1-ium-5-yl)nona-3,5,7-trien-2-ylidene]pyrrolidine?
The canonical SMILES for 1-methyl-2-[(3E,5E,7Z)-3,4,5,6,7-pentamethyl-8-(1-methyl-3,4-dihydro-2H-pyrrol-1-ium-5-yl)nona-3,5,7-trien-2-ylidene]pyrrolidine is CC(=C1CCCN1C)/C(C)=C(C)/C(C)=C(C)/C(C)=C(/C)C1=[N+](C)CCC1.
What is the InChIKey of 1-methyl-2-[(3E,5E,7Z)-3,4,5,6,7-pentamethyl-8-(1-methyl-3,4-dihydro-2H-pyrrol-1-ium-5-yl)nona-3,5,7-trien-2-ylidene]pyrrolidine?
The InChIKey is UXYPOYKKGACWRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H39N2/c1-16(17(2)19(4)21(6)23-12-10-14-25(23)8)18(3)20(5)22(7)24-13-11-15-26(24)9/h10-15H2,1-9H3/q+1.
What are the key properties of 1-methyl-2-[(3E,5E,7Z)-3,4,5,6,7-pentamethyl-8-(1-methyl-3,4-dihydro-2H-pyrrol-1-ium-5-yl)nona-3,5,7-trien-2-ylidene]pyrrolidine?
1-methyl-2-[(3E,5E,7Z)-3,4,5,6,7-pentamethyl-8-(1-methyl-3,4-dihydro-2H-pyrrol-1-ium-5-yl)nona-3,5,7-trien-2-ylidene]pyrrolidine has a molecular weight of 355.59 g/mol, XLogP of 5.87, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-[(3E,5E,7Z)-3,4,5,6,7-pentamethyl-8-(1-methyl-3,4-dihydro-2H-pyrrol-1-ium-5-yl)nona-3,5,7-trien-2-ylidene]pyrrolidine is sourced from PubChem (CID 159427217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).