2-benzyl-1,1,3,3-tetrakis(prop-2-enyl)isoindole

C27H31N — CID 68572707

IUPAC2-benzyl-1,1,3,3-tetrakis(prop-2-enyl)isoindole
SMILESC=CCC1(CC=C)c2ccccc2C(CC=C)(CC=C)N1Cc1ccccc1
InChIInChI=1S/C27H31N/c1-5-18-26(19-6-2)24-16-12-13-17-25(24)27(20-7-3,21-8-4)28(26)22-23-14-10-9-11-15-23/h5-17H,1-4,18-22H2
InChIKeyRMGSOCANHHQVLB-UHFFFAOYSA-N
MW369.55 g/mol
LogP6.90
Rot. Bonds10

About 2-benzyl-1,1,3,3-tetrakis(prop-2-enyl)isoindole

2-benzyl-1,1,3,3-tetrakis(prop-2-enyl)isoindole (PubChem CID 68572707) has the molecular formula C27H31N and a molecular weight of 369.55 g/mol. Its IUPAC name is 2-benzyl-1,1,3,3-tetrakis(prop-2-enyl)isoindole.

Molecular Properties

Compound Name2-benzyl-1,1,3,3-tetrakis(prop-2-enyl)isoindole
PubChem CID68572707
Molecular FormulaC27H31N
Molecular Weight369.55 g/mol
Exact Mass369.25
IUPAC Name2-benzyl-1,1,3,3-tetrakis(prop-2-enyl)isoindole
SMILESC=CCC1(CC=C)c2ccccc2C(CC=C)(CC=C)N1Cc1ccccc1
InChIInChI=1S/C27H31N/c1-5-18-26(19-6-2)24-16-12-13-17-25(24)27(20-7-3,21-8-4)28(26)22-23-14-10-9-11-15-23/h5-17H,1-4,18-22H2
InChIKeyRMGSOCANHHQVLB-UHFFFAOYSA-N
XLogP6.90
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.55
LogP ≤ 56.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(3R)-1,3-dibenzyl-3-prop-2-enylindol-2-one
CID 102179958
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CID 102339470
(2S)-1-benzyl-2-methyl-2-prop-2-enylaziridine
CID 101369761
(2R,3R)-1-benzyl-2-ethyl-3-methyl-2-prop-2-enylaziridine
CID 101369766
2-benzyl-4-methyl-4-prop-2-enyl-1H-isoquinolin-3-one
CID 53468157
1-benzyl-3,3-bis(prop-2-enyl)piperidin-4-one
CID 69094065
1-benzyl-3,3-dimethyl-2-prop-2-enyl-2H-indole
CID 11087073
2-benzyl-1,1,3,3-tetramethylbenzo[de]isoquinoline
CID 23652181
prop-2-enylbenzene
CID 159998516
2-[(3R)-1-benzyl-3-prop-2-enyl-2H-indol-3-yl]-N-phenylacetamide
CID 134946840
4-(3-benzyl-9-prop-2-enyl-3-azabicyclo[3.3.1]nonan-9-yl)-2-methyl-1H-benzimidazole
CID 155782573
3-benzyl-8-methyl-3-azabicyclo[3.2.1]octan-8-amine
CID 70655281

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-1,1,3,3-tetrakis(prop-2-enyl)isoindole?
The IUPAC name of 2-benzyl-1,1,3,3-tetrakis(prop-2-enyl)isoindole (CID 68572707) is 2-benzyl-1,1,3,3-tetrakis(prop-2-enyl)isoindole.
What is the SMILES notation for 2-benzyl-1,1,3,3-tetrakis(prop-2-enyl)isoindole?
The canonical SMILES for 2-benzyl-1,1,3,3-tetrakis(prop-2-enyl)isoindole is C=CCC1(CC=C)c2ccccc2C(CC=C)(CC=C)N1Cc1ccccc1.
What is the InChIKey of 2-benzyl-1,1,3,3-tetrakis(prop-2-enyl)isoindole?
The InChIKey is RMGSOCANHHQVLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N/c1-5-18-26(19-6-2)24-16-12-13-17-25(24)27(20-7-3,21-8-4)28(26)22-23-14-10-9-11-15-23/h5-17H,1-4,18-22H2.
What are the key properties of 2-benzyl-1,1,3,3-tetrakis(prop-2-enyl)isoindole?
2-benzyl-1,1,3,3-tetrakis(prop-2-enyl)isoindole has a molecular weight of 369.55 g/mol, XLogP of 6.90, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-1,1,3,3-tetrakis(prop-2-enyl)isoindole is sourced from PubChem (CID 68572707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).