2-methyl-2-prop-2-enyl-1,3-dihydroindole

C12H15N — CID 102526165

IUPAC2-methyl-2-prop-2-enyl-1,3-dihydroindole
SMILESC=CCC1(C)Cc2ccccc2N1
InChIInChI=1S/C12H15N/c1-3-8-12(2)9-10-6-4-5-7-11(10)13-12/h3-7,13H,1,8-9H2,2H3
InChIKeyOOSKRNMVFCKMDU-UHFFFAOYSA-N
MW173.26 g/mol
LogP2.99
Rot. Bonds2

About 2-methyl-2-prop-2-enyl-1,3-dihydroindole

2-methyl-2-prop-2-enyl-1,3-dihydroindole (PubChem CID 102526165) has the molecular formula C12H15N and a molecular weight of 173.26 g/mol. Its IUPAC name is 2-methyl-2-prop-2-enyl-1,3-dihydroindole.

Molecular Properties

Compound Name2-methyl-2-prop-2-enyl-1,3-dihydroindole
PubChem CID102526165
Molecular FormulaC12H15N
Molecular Weight173.26 g/mol
Exact Mass173.12
IUPAC Name2-methyl-2-prop-2-enyl-1,3-dihydroindole
SMILESC=CCC1(C)Cc2ccccc2N1
InChIInChI=1S/C12H15N/c1-3-8-12(2)9-10-6-4-5-7-11(10)13-12/h3-7,13H,1,8-9H2,2H3
InChIKeyOOSKRNMVFCKMDU-UHFFFAOYSA-N
XLogP2.99
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2,2-dimethyl-1,3-dihydroindole;ethane
CID 90930598
(2-methyl-3,4-dihydro-1H-quinolin-2-yl)methanol
CID 19963231
3-methyl-3-prop-2-enyl-1,2-dihydroindene
CID 85427456
spiro[1,3-dihydroindole-2,3'-dioxirane]
CID 174997993
2-(2-propan-2-yl-1,3-dihydroindol-2-yl)acetic acid
CID 20766235
N-[(2S)-2-methyl-1,3-dihydroindol-2-yl]acetamide
CID 97107696
1'-methylspiro[1,3-dihydroindole-2,4'-piperidine]
CID 170208528
(2S)-2-methyl-2-prop-2-enyl-3,4-dihydronaphthalen-1-one
CID 45096682
2-ethyl-2,6-dimethyl-1,3-dihydroindole
CID 13401896
2-(hydroxymethyl)-1,3-dihydroindole-2-carboxylic acid
CID 175545746
(7R)-7-prop-2-enylbicyclo[4.2.0]octa-1,3,5-trien-7-ol
CID 100988172
(2S)-spiro[1,3-dihydroindole-2,3'-oxirane]-2',2'-diol
CID 155488692

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-prop-2-enyl-1,3-dihydroindole?
The IUPAC name of 2-methyl-2-prop-2-enyl-1,3-dihydroindole (CID 102526165) is 2-methyl-2-prop-2-enyl-1,3-dihydroindole.
What is the SMILES notation for 2-methyl-2-prop-2-enyl-1,3-dihydroindole?
The canonical SMILES for 2-methyl-2-prop-2-enyl-1,3-dihydroindole is C=CCC1(C)Cc2ccccc2N1.
What is the InChIKey of 2-methyl-2-prop-2-enyl-1,3-dihydroindole?
The InChIKey is OOSKRNMVFCKMDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N/c1-3-8-12(2)9-10-6-4-5-7-11(10)13-12/h3-7,13H,1,8-9H2,2H3.
What are the key properties of 2-methyl-2-prop-2-enyl-1,3-dihydroindole?
2-methyl-2-prop-2-enyl-1,3-dihydroindole has a molecular weight of 173.26 g/mol, XLogP of 2.99, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-prop-2-enyl-1,3-dihydroindole is sourced from PubChem (CID 102526165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).