ethenol;3-methyl-2-prop-2-enyl-3-propyl-1,2-dihydroindole

C17H25NO — CID 143815298

IUPACethenol;3-methyl-2-prop-2-enyl-3-propyl-1,2-dihydroindole
SMILESC=CCC1Nc2ccccc2C1(C)CCC.C=CO
InChIInChI=1S/C15H21N.C2H4O/c1-4-8-14-15(3,11-5-2)12-9-6-7-10-13(12)16-14;1-2-3/h4,6-7,9-10,14,16H,1,5,8,11H2,2-3H3;2-3H,1H2
InChIKeyNFAMTOMCBFRLRZ-UHFFFAOYSA-N
MW259.39 g/mol
LogP4.80
Rot. Bonds4

About ethenol;3-methyl-2-prop-2-enyl-3-propyl-1,2-dihydroindole

ethenol;3-methyl-2-prop-2-enyl-3-propyl-1,2-dihydroindole (PubChem CID 143815298) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is ethenol;3-methyl-2-prop-2-enyl-3-propyl-1,2-dihydroindole.

Molecular Properties

Compound Nameethenol;3-methyl-2-prop-2-enyl-3-propyl-1,2-dihydroindole
PubChem CID143815298
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC Nameethenol;3-methyl-2-prop-2-enyl-3-propyl-1,2-dihydroindole
SMILESC=CCC1Nc2ccccc2C1(C)CCC.C=CO
InChIInChI=1S/C15H21N.C2H4O/c1-4-8-14-15(3,11-5-2)12-9-6-7-10-13(12)16-14;1-2-3/h4,6-7,9-10,14,16H,1,5,8,11H2,2-3H3;2-3H,1H2
InChIKeyNFAMTOMCBFRLRZ-UHFFFAOYSA-N
XLogP4.80
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 54.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethenol;3-methyl-2-prop-2-enyl-3-propyl-1,2-dihydroindole?
The IUPAC name of ethenol;3-methyl-2-prop-2-enyl-3-propyl-1,2-dihydroindole (CID 143815298) is ethenol;3-methyl-2-prop-2-enyl-3-propyl-1,2-dihydroindole.
What is the SMILES notation for ethenol;3-methyl-2-prop-2-enyl-3-propyl-1,2-dihydroindole?
The canonical SMILES for ethenol;3-methyl-2-prop-2-enyl-3-propyl-1,2-dihydroindole is C=CCC1Nc2ccccc2C1(C)CCC.C=CO.
What is the InChIKey of ethenol;3-methyl-2-prop-2-enyl-3-propyl-1,2-dihydroindole?
The InChIKey is NFAMTOMCBFRLRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N.C2H4O/c1-4-8-14-15(3,11-5-2)12-9-6-7-10-13(12)16-14;1-2-3/h4,6-7,9-10,14,16H,1,5,8,11H2,2-3H3;2-3H,1H2.
What are the key properties of ethenol;3-methyl-2-prop-2-enyl-3-propyl-1,2-dihydroindole?
ethenol;3-methyl-2-prop-2-enyl-3-propyl-1,2-dihydroindole has a molecular weight of 259.39 g/mol, XLogP of 4.80, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethenol;3-methyl-2-prop-2-enyl-3-propyl-1,2-dihydroindole is sourced from PubChem (CID 143815298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).