2-butyl-5-methyl-4-methylidene-7-propan-2-yl-5,7a-dihydroindole

C17H25N — CID 145299383

IUPAC2-butyl-5-methyl-4-methylidene-7-propan-2-yl-5,7a-dihydroindole
SMILESC=C1C2=CC(CCCC)=NC2C(C(C)C)=CC1C
InChIInChI=1S/C17H25N/c1-6-7-8-14-10-16-13(5)12(4)9-15(11(2)3)17(16)18-14/h9-12,17H,5-8H2,1-4H3
InChIKeyGTRBGOXMXCYNFK-UHFFFAOYSA-N
MW243.39 g/mol
LogP4.71
Rot. Bonds4

About 2-butyl-5-methyl-4-methylidene-7-propan-2-yl-5,7a-dihydroindole

2-butyl-5-methyl-4-methylidene-7-propan-2-yl-5,7a-dihydroindole (PubChem CID 145299383) has the molecular formula C17H25N and a molecular weight of 243.39 g/mol. Its IUPAC name is 2-butyl-5-methyl-4-methylidene-7-propan-2-yl-5,7a-dihydroindole.

Molecular Properties

Compound Name2-butyl-5-methyl-4-methylidene-7-propan-2-yl-5,7a-dihydroindole
PubChem CID145299383
Molecular FormulaC17H25N
Molecular Weight243.39 g/mol
Exact Mass243.20
IUPAC Name2-butyl-5-methyl-4-methylidene-7-propan-2-yl-5,7a-dihydroindole
SMILESC=C1C2=CC(CCCC)=NC2C(C(C)C)=CC1C
InChIInChI=1S/C17H25N/c1-6-7-8-14-10-16-13(5)12(4)9-15(11(2)3)17(16)18-14/h9-12,17H,5-8H2,1-4H3
InChIKeyGTRBGOXMXCYNFK-UHFFFAOYSA-N
XLogP4.71
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 54.71
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-butyl-5-methyl-4-methylidene-7-propan-2-yl-5,7a-dihydroindole?
The IUPAC name of 2-butyl-5-methyl-4-methylidene-7-propan-2-yl-5,7a-dihydroindole (CID 145299383) is 2-butyl-5-methyl-4-methylidene-7-propan-2-yl-5,7a-dihydroindole.
What is the SMILES notation for 2-butyl-5-methyl-4-methylidene-7-propan-2-yl-5,7a-dihydroindole?
The canonical SMILES for 2-butyl-5-methyl-4-methylidene-7-propan-2-yl-5,7a-dihydroindole is C=C1C2=CC(CCCC)=NC2C(C(C)C)=CC1C.
What is the InChIKey of 2-butyl-5-methyl-4-methylidene-7-propan-2-yl-5,7a-dihydroindole?
The InChIKey is GTRBGOXMXCYNFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N/c1-6-7-8-14-10-16-13(5)12(4)9-15(11(2)3)17(16)18-14/h9-12,17H,5-8H2,1-4H3.
What are the key properties of 2-butyl-5-methyl-4-methylidene-7-propan-2-yl-5,7a-dihydroindole?
2-butyl-5-methyl-4-methylidene-7-propan-2-yl-5,7a-dihydroindole has a molecular weight of 243.39 g/mol, XLogP of 4.71, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-5-methyl-4-methylidene-7-propan-2-yl-5,7a-dihydroindole is sourced from PubChem (CID 145299383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).