4-ethenyl-2-[[3-ethenyl-4-[(Z)-prop-1-enyl]cyclopent-3-en-1-yl]methyl]-1,3-dimethyl-5-[(Z)-prop-1-enyl]-2,3-dihydropyrrole

C22H31N — CID 134188149

IUPAC4-ethenyl-2-[[3-ethenyl-4-[(Z)-prop-1-enyl]cyclopent-3-en-1-yl]methyl]-1,3-dimethyl-5-[(Z)-prop-1-enyl]-2,3-dihydropyrrole
SMILESC=CC1=C(/C=C\C)CC(CC2C(C)C(C=C)=C(/C=C\C)N2C)C1
InChIInChI=1S/C22H31N/c1-7-11-19-14-17(13-18(19)9-3)15-22-16(5)20(10-4)21(12-8-2)23(22)6/h7-12,16-17,22H,3-4,13-15H2,1-2,5-6H3/b11-7-,12-8-
InChIKeyGARHMPSUSIHVPM-OXAWKVHCSA-N
MW309.50 g/mol
LogP5.81
Rot. Bonds6

About 4-ethenyl-2-[[3-ethenyl-4-[(Z)-prop-1-enyl]cyclopent-3-en-1-yl]methyl]-1,3-dimethyl-5-[(Z)-prop-1-enyl]-2,3-dihydropyrrole

4-ethenyl-2-[[3-ethenyl-4-[(Z)-prop-1-enyl]cyclopent-3-en-1-yl]methyl]-1,3-dimethyl-5-[(Z)-prop-1-enyl]-2,3-dihydropyrrole (PubChem CID 134188149) has the molecular formula C22H31N and a molecular weight of 309.50 g/mol. Its IUPAC name is 4-ethenyl-2-[[3-ethenyl-4-[(Z)-prop-1-enyl]cyclopent-3-en-1-yl]methyl]-1,3-dimethyl-5-[(Z)-prop-1-enyl]-2,3-dihydropyrrole.

Molecular Properties

Compound Name4-ethenyl-2-[[3-ethenyl-4-[(Z)-prop-1-enyl]cyclopent-3-en-1-yl]methyl]-1,3-dimethyl-5-[(Z)-prop-1-enyl]-2,3-dihydropyrrole
PubChem CID134188149
Molecular FormulaC22H31N
Molecular Weight309.50 g/mol
Exact Mass309.25
IUPAC Name4-ethenyl-2-[[3-ethenyl-4-[(Z)-prop-1-enyl]cyclopent-3-en-1-yl]methyl]-1,3-dimethyl-5-[(Z)-prop-1-enyl]-2,3-dihydropyrrole
SMILESC=CC1=C(/C=C\C)CC(CC2C(C)C(C=C)=C(/C=C\C)N2C)C1
InChIInChI=1S/C22H31N/c1-7-11-19-14-17(13-18(19)9-3)15-22-16(5)20(10-4)21(12-8-2)23(22)6/h7-12,16-17,22H,3-4,13-15H2,1-2,5-6H3/b11-7-,12-8-
InChIKeyGARHMPSUSIHVPM-OXAWKVHCSA-N
XLogP5.81
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500309.50
LogP ≤ 55.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-2-[[3-ethenyl-4-[(Z)-prop-1-enyl]cyclopent-3-en-1-yl]methyl]-1,3-dimethyl-5-[(Z)-prop-1-enyl]-2,3-dihydropyrrole?
The IUPAC name of 4-ethenyl-2-[[3-ethenyl-4-[(Z)-prop-1-enyl]cyclopent-3-en-1-yl]methyl]-1,3-dimethyl-5-[(Z)-prop-1-enyl]-2,3-dihydropyrrole (CID 134188149) is 4-ethenyl-2-[[3-ethenyl-4-[(Z)-prop-1-enyl]cyclopent-3-en-1-yl]methyl]-1,3-dimethyl-5-[(Z)-prop-1-enyl]-2,3-dihydropyrrole.
What is the SMILES notation for 4-ethenyl-2-[[3-ethenyl-4-[(Z)-prop-1-enyl]cyclopent-3-en-1-yl]methyl]-1,3-dimethyl-5-[(Z)-prop-1-enyl]-2,3-dihydropyrrole?
The canonical SMILES for 4-ethenyl-2-[[3-ethenyl-4-[(Z)-prop-1-enyl]cyclopent-3-en-1-yl]methyl]-1,3-dimethyl-5-[(Z)-prop-1-enyl]-2,3-dihydropyrrole is C=CC1=C(/C=C\C)CC(CC2C(C)C(C=C)=C(/C=C\C)N2C)C1.
What is the InChIKey of 4-ethenyl-2-[[3-ethenyl-4-[(Z)-prop-1-enyl]cyclopent-3-en-1-yl]methyl]-1,3-dimethyl-5-[(Z)-prop-1-enyl]-2,3-dihydropyrrole?
The InChIKey is GARHMPSUSIHVPM-OXAWKVHCSA-N. The full InChI is InChI=1S/C22H31N/c1-7-11-19-14-17(13-18(19)9-3)15-22-16(5)20(10-4)21(12-8-2)23(22)6/h7-12,16-17,22H,3-4,13-15H2,1-2,5-6H3/b11-7-,12-8-.
What are the key properties of 4-ethenyl-2-[[3-ethenyl-4-[(Z)-prop-1-enyl]cyclopent-3-en-1-yl]methyl]-1,3-dimethyl-5-[(Z)-prop-1-enyl]-2,3-dihydropyrrole?
4-ethenyl-2-[[3-ethenyl-4-[(Z)-prop-1-enyl]cyclopent-3-en-1-yl]methyl]-1,3-dimethyl-5-[(Z)-prop-1-enyl]-2,3-dihydropyrrole has a molecular weight of 309.50 g/mol, XLogP of 5.81, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-2-[[3-ethenyl-4-[(Z)-prop-1-enyl]cyclopent-3-en-1-yl]methyl]-1,3-dimethyl-5-[(Z)-prop-1-enyl]-2,3-dihydropyrrole is sourced from PubChem (CID 134188149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).