1-undecan-2-yl-2H-isoindole

C19H29N — CID 173176533

IUPAC1-undecan-2-yl-2H-isoindole
SMILESCCCCCCCCCC(C)c1[nH]cc2ccccc12
InChIInChI=1S/C19H29N/c1-3-4-5-6-7-8-9-12-16(2)19-18-14-11-10-13-17(18)15-20-19/h10-11,13-16,20H,3-9,12H2,1-2H3
InChIKeyGPKZJMKOFQTUHN-UHFFFAOYSA-N
MW271.45 g/mol
LogP6.41
Rot. Bonds9

About 1-undecan-2-yl-2H-isoindole

1-undecan-2-yl-2H-isoindole (PubChem CID 173176533) has the molecular formula C19H29N and a molecular weight of 271.45 g/mol. Its IUPAC name is 1-undecan-2-yl-2H-isoindole.

Molecular Properties

Compound Name1-undecan-2-yl-2H-isoindole
PubChem CID173176533
Molecular FormulaC19H29N
Molecular Weight271.45 g/mol
Exact Mass271.23
IUPAC Name1-undecan-2-yl-2H-isoindole
SMILESCCCCCCCCCC(C)c1[nH]cc2ccccc12
InChIInChI=1S/C19H29N/c1-3-4-5-6-7-8-9-12-16(2)19-18-14-11-10-13-17(18)15-20-19/h10-11,13-16,20H,3-9,12H2,1-2H3
InChIKeyGPKZJMKOFQTUHN-UHFFFAOYSA-N
XLogP6.41
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500271.45
LogP ≤ 56.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-dodecan-2-yl-2H-isoindole
CID 173177351
1-decan-2-yl-2H-isoindole
CID 173176942
1-hexyl-2H-isoindole
CID 91174886
heptane;phenanthrene
CID 157482146
1-tetracosan-9-ylnaphthalene
CID 175897855
1-hexadecan-6-ylnaphthalene
CID 14029925
1-undecan-2-yl-9H-carbazole
CID 173176720
1-(2-methylhexadecyl)naphthalene
CID 139758361
5-heptan-2-yl-3-(1H-indol-3-yl)-1,2,4-oxadiazole
CID 137255750
1-naphthalen-1-ylnonan-2-ol
CID 19902465
1-methyl-2-tetradecan-2-ylbenzene
CID 54096578
1-methyl-2-octan-2-ylbenzene
CID 86190056

Frequently Asked Questions

What is the IUPAC name of 1-undecan-2-yl-2H-isoindole?
The IUPAC name of 1-undecan-2-yl-2H-isoindole (CID 173176533) is 1-undecan-2-yl-2H-isoindole.
What is the SMILES notation for 1-undecan-2-yl-2H-isoindole?
The canonical SMILES for 1-undecan-2-yl-2H-isoindole is CCCCCCCCCC(C)c1[nH]cc2ccccc12.
What is the InChIKey of 1-undecan-2-yl-2H-isoindole?
The InChIKey is GPKZJMKOFQTUHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N/c1-3-4-5-6-7-8-9-12-16(2)19-18-14-11-10-13-17(18)15-20-19/h10-11,13-16,20H,3-9,12H2,1-2H3.
What are the key properties of 1-undecan-2-yl-2H-isoindole?
1-undecan-2-yl-2H-isoindole has a molecular weight of 271.45 g/mol, XLogP of 6.41, 9 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-undecan-2-yl-2H-isoindole is sourced from PubChem (CID 173176533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).