1-methyl-2-[3-[2-methyl-3-[3-(1-methyl-3,4-dihydro-2H-pyrrol-1-ium-5-yl)but-2-en-2-yl]cyclohex-2-en-1-ylidene]butan-2-ylidene]pyrrolidine

C25H39N2+ — CID 59189324

IUPAC1-methyl-2-[3-[2-methyl-3-[3-(1-methyl-3,4-dihydro-2H-pyrrol-1-ium-5-yl)but-2-en-2-yl]cyclohex-2-en-1-ylidene]butan-2-ylidene]pyrrolidine
SMILESCC(=C(C)C1=[N+](C)CCC1)C1=C(C)C(=C(C)C(C)=C2CCCN2C)CCC1
InChIInChI=1S/C25H39N2/c1-17(19(3)24-13-9-15-26(24)6)22-11-8-12-23(21(22)5)18(2)20(4)25-14-10-16-27(25)7/h8-16H2,1-7H3/q+1
InChIKeyGWEBFWWKPRLYOJ-UHFFFAOYSA-N
MW367.60 g/mol
LogP6.02
Rot. Bonds3

About 1-methyl-2-[3-[2-methyl-3-[3-(1-methyl-3,4-dihydro-2H-pyrrol-1-ium-5-yl)but-2-en-2-yl]cyclohex-2-en-1-ylidene]butan-2-ylidene]pyrrolidine

1-methyl-2-[3-[2-methyl-3-[3-(1-methyl-3,4-dihydro-2H-pyrrol-1-ium-5-yl)but-2-en-2-yl]cyclohex-2-en-1-ylidene]butan-2-ylidene]pyrrolidine (PubChem CID 59189324) has the molecular formula C25H39N2+ and a molecular weight of 367.60 g/mol. Its IUPAC name is 1-methyl-2-[3-[2-methyl-3-[3-(1-methyl-3,4-dihydro-2H-pyrrol-1-ium-5-yl)but-2-en-2-yl]cyclohex-2-en-1-ylidene]butan-2-ylidene]pyrrolidine.

Molecular Properties

Compound Name1-methyl-2-[3-[2-methyl-3-[3-(1-methyl-3,4-dihydro-2H-pyrrol-1-ium-5-yl)but-2-en-2-yl]cyclohex-2-en-1-ylidene]butan-2-ylidene]pyrrolidine
PubChem CID59189324
Molecular FormulaC25H39N2+
Molecular Weight367.60 g/mol
Exact Mass367.31
IUPAC Name1-methyl-2-[3-[2-methyl-3-[3-(1-methyl-3,4-dihydro-2H-pyrrol-1-ium-5-yl)but-2-en-2-yl]cyclohex-2-en-1-ylidene]butan-2-ylidene]pyrrolidine
SMILESCC(=C(C)C1=[N+](C)CCC1)C1=C(C)C(=C(C)C(C)=C2CCCN2C)CCC1
InChIInChI=1S/C25H39N2/c1-17(19(3)24-13-9-15-26(24)6)22-11-8-12-23(21(22)5)18(2)20(4)25-14-10-16-27(25)7/h8-16H2,1-7H3/q+1
InChIKeyGWEBFWWKPRLYOJ-UHFFFAOYSA-N
XLogP6.02
TPSA6.25 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.60
LogP ≤ 56.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-[3-[2-methyl-3-[3-(1-methyl-3,4-dihydro-2H-pyrrol-1-ium-5-yl)but-2-en-2-yl]cyclohex-2-en-1-ylidene]butan-2-ylidene]pyrrolidine?
The IUPAC name of 1-methyl-2-[3-[2-methyl-3-[3-(1-methyl-3,4-dihydro-2H-pyrrol-1-ium-5-yl)but-2-en-2-yl]cyclohex-2-en-1-ylidene]butan-2-ylidene]pyrrolidine (CID 59189324) is 1-methyl-2-[3-[2-methyl-3-[3-(1-methyl-3,4-dihydro-2H-pyrrol-1-ium-5-yl)but-2-en-2-yl]cyclohex-2-en-1-ylidene]butan-2-ylidene]pyrrolidine.
What is the SMILES notation for 1-methyl-2-[3-[2-methyl-3-[3-(1-methyl-3,4-dihydro-2H-pyrrol-1-ium-5-yl)but-2-en-2-yl]cyclohex-2-en-1-ylidene]butan-2-ylidene]pyrrolidine?
The canonical SMILES for 1-methyl-2-[3-[2-methyl-3-[3-(1-methyl-3,4-dihydro-2H-pyrrol-1-ium-5-yl)but-2-en-2-yl]cyclohex-2-en-1-ylidene]butan-2-ylidene]pyrrolidine is CC(=C(C)C1=[N+](C)CCC1)C1=C(C)C(=C(C)C(C)=C2CCCN2C)CCC1.
What is the InChIKey of 1-methyl-2-[3-[2-methyl-3-[3-(1-methyl-3,4-dihydro-2H-pyrrol-1-ium-5-yl)but-2-en-2-yl]cyclohex-2-en-1-ylidene]butan-2-ylidene]pyrrolidine?
The InChIKey is GWEBFWWKPRLYOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H39N2/c1-17(19(3)24-13-9-15-26(24)6)22-11-8-12-23(21(22)5)18(2)20(4)25-14-10-16-27(25)7/h8-16H2,1-7H3/q+1.
What are the key properties of 1-methyl-2-[3-[2-methyl-3-[3-(1-methyl-3,4-dihydro-2H-pyrrol-1-ium-5-yl)but-2-en-2-yl]cyclohex-2-en-1-ylidene]butan-2-ylidene]pyrrolidine?
1-methyl-2-[3-[2-methyl-3-[3-(1-methyl-3,4-dihydro-2H-pyrrol-1-ium-5-yl)but-2-en-2-yl]cyclohex-2-en-1-ylidene]butan-2-ylidene]pyrrolidine has a molecular weight of 367.60 g/mol, XLogP of 6.02, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-[3-[2-methyl-3-[3-(1-methyl-3,4-dihydro-2H-pyrrol-1-ium-5-yl)but-2-en-2-yl]cyclohex-2-en-1-ylidene]butan-2-ylidene]pyrrolidine is sourced from PubChem (CID 59189324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).