1-(2-methylprop-2-enyl)-2,3-dihydroindole

C12H15N — CID 15723561

IUPAC1-(2-methylprop-2-enyl)-2,3-dihydroindole
SMILESC=C(C)CN1CCc2ccccc21
InChIInChI=1S/C12H15N/c1-10(2)9-13-8-7-11-5-3-4-6-12(11)13/h3-6H,1,7-9H2,2H3
InChIKeyKKOKJQXCWIGNCX-UHFFFAOYSA-N
MW173.26 g/mol
LogP2.63
Rot. Bonds2

About 1-(2-methylprop-2-enyl)-2,3-dihydroindole

1-(2-methylprop-2-enyl)-2,3-dihydroindole (PubChem CID 15723561) has the molecular formula C12H15N and a molecular weight of 173.26 g/mol. Its IUPAC name is 1-(2-methylprop-2-enyl)-2,3-dihydroindole.

Molecular Properties

Compound Name1-(2-methylprop-2-enyl)-2,3-dihydroindole
PubChem CID15723561
Molecular FormulaC12H15N
Molecular Weight173.26 g/mol
Exact Mass173.12
IUPAC Name1-(2-methylprop-2-enyl)-2,3-dihydroindole
SMILESC=C(C)CN1CCc2ccccc21
InChIInChI=1S/C12H15N/c1-10(2)9-13-8-7-11-5-3-4-6-12(11)13/h3-6H,1,7-9H2,2H3
InChIKeyKKOKJQXCWIGNCX-UHFFFAOYSA-N
XLogP2.63
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 52.63
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

2-(2,3-dihydroindol-1-yl)acetate
CID 6935608
2-(2,3-dihydroindol-1-yl)-N'-hydroxyethanimidamide
CID 24703377
1-[(2E)-2-ethenylpenta-2,4-dienyl]-2,3-dihydroindole
CID 145056471
1-cyclopropyl-2-(2,3-dihydroindol-1-yl)ethanone
CID 63912554
1-(chloromethyl)-2,3-dihydroindole
CID 59108457
2-(2,3-dihydroindol-1-yl)ethanol;hydrochloride
CID 169005265
8-(2,3-dihydroindol-1-yl)-3,7-dimethylocta-2,6-dien-1-ol
CID 54025459
(E)-1-(3,4-dihydro-2H-quinolin-1-yl)-N-ethenyl-3-fluorobut-2-en-2-amine
CID 143672460
1-butyl-2,3-dihydroindole
CID 4167209
2,3-dihydroindol-1-ylmethylphosphonic acid
CID 53215241
2-(2,3-dihydroindol-1-yl)ethyl acetate
CID 174450799
3-(3,4-dihydro-2H-quinolin-1-yl)prop-1-en-2-yl-trifluoroboranuide
CID 106745635

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylprop-2-enyl)-2,3-dihydroindole?
The IUPAC name of 1-(2-methylprop-2-enyl)-2,3-dihydroindole (CID 15723561) is 1-(2-methylprop-2-enyl)-2,3-dihydroindole.
What is the SMILES notation for 1-(2-methylprop-2-enyl)-2,3-dihydroindole?
The canonical SMILES for 1-(2-methylprop-2-enyl)-2,3-dihydroindole is C=C(C)CN1CCc2ccccc21.
What is the InChIKey of 1-(2-methylprop-2-enyl)-2,3-dihydroindole?
The InChIKey is KKOKJQXCWIGNCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N/c1-10(2)9-13-8-7-11-5-3-4-6-12(11)13/h3-6H,1,7-9H2,2H3.
What are the key properties of 1-(2-methylprop-2-enyl)-2,3-dihydroindole?
1-(2-methylprop-2-enyl)-2,3-dihydroindole has a molecular weight of 173.26 g/mol, XLogP of 2.63, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylprop-2-enyl)-2,3-dihydroindole is sourced from PubChem (CID 15723561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).