2-but-3-enyl-1-hexan-2-yl-6-methyl-2,3-dihydroindole

C19H29N — CID 130382610

IUPAC2-but-3-enyl-1-hexan-2-yl-6-methyl-2,3-dihydroindole
SMILESC=CCCC1Cc2ccc(C)cc2N1C(C)CCCC
InChIInChI=1S/C19H29N/c1-5-7-9-16(4)20-18(10-8-6-2)14-17-12-11-15(3)13-19(17)20/h6,11-13,16,18H,2,5,7-10,14H2,1,3-4H3
InChIKeyZCDLKLXLOQGQNK-UHFFFAOYSA-N
MW271.45 g/mol
LogP5.27
Rot. Bonds7

About 2-but-3-enyl-1-hexan-2-yl-6-methyl-2,3-dihydroindole

2-but-3-enyl-1-hexan-2-yl-6-methyl-2,3-dihydroindole (PubChem CID 130382610) has the molecular formula C19H29N and a molecular weight of 271.45 g/mol. Its IUPAC name is 2-but-3-enyl-1-hexan-2-yl-6-methyl-2,3-dihydroindole.

Molecular Properties

Compound Name2-but-3-enyl-1-hexan-2-yl-6-methyl-2,3-dihydroindole
PubChem CID130382610
Molecular FormulaC19H29N
Molecular Weight271.45 g/mol
Exact Mass271.23
IUPAC Name2-but-3-enyl-1-hexan-2-yl-6-methyl-2,3-dihydroindole
SMILESC=CCCC1Cc2ccc(C)cc2N1C(C)CCCC
InChIInChI=1S/C19H29N/c1-5-7-9-16(4)20-18(10-8-6-2)14-17-12-11-15(3)13-19(17)20/h6,11-13,16,18H,2,5,7-10,14H2,1,3-4H3
InChIKeyZCDLKLXLOQGQNK-UHFFFAOYSA-N
XLogP5.27
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500271.45
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-but-3-enyl-1-hexan-2-yl-6-methyl-2,3-dihydroindole?
The IUPAC name of 2-but-3-enyl-1-hexan-2-yl-6-methyl-2,3-dihydroindole (CID 130382610) is 2-but-3-enyl-1-hexan-2-yl-6-methyl-2,3-dihydroindole.
What is the SMILES notation for 2-but-3-enyl-1-hexan-2-yl-6-methyl-2,3-dihydroindole?
The canonical SMILES for 2-but-3-enyl-1-hexan-2-yl-6-methyl-2,3-dihydroindole is C=CCCC1Cc2ccc(C)cc2N1C(C)CCCC.
What is the InChIKey of 2-but-3-enyl-1-hexan-2-yl-6-methyl-2,3-dihydroindole?
The InChIKey is ZCDLKLXLOQGQNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N/c1-5-7-9-16(4)20-18(10-8-6-2)14-17-12-11-15(3)13-19(17)20/h6,11-13,16,18H,2,5,7-10,14H2,1,3-4H3.
What are the key properties of 2-but-3-enyl-1-hexan-2-yl-6-methyl-2,3-dihydroindole?
2-but-3-enyl-1-hexan-2-yl-6-methyl-2,3-dihydroindole has a molecular weight of 271.45 g/mol, XLogP of 5.27, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-but-3-enyl-1-hexan-2-yl-6-methyl-2,3-dihydroindole is sourced from PubChem (CID 130382610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).