3-(2-methoxyprop-2-enyl)-2,3-dihydro-1H-indole

C12H15NO — CID 145312543

IUPAC3-(2-methoxyprop-2-enyl)-2,3-dihydro-1H-indole
SMILESC=C(CC1CNc2ccccc21)OC
InChIInChI=1S/C12H15NO/c1-9(14-2)7-10-8-13-12-6-4-3-5-11(10)12/h3-6,10,13H,1,7-8H2,2H3
InChIKeyDMBVOLSTNGLQFO-UHFFFAOYSA-N
MW189.26 g/mol
LogP2.75
Rot. Bonds3

About 3-(2-methoxyprop-2-enyl)-2,3-dihydro-1H-indole

3-(2-methoxyprop-2-enyl)-2,3-dihydro-1H-indole (PubChem CID 145312543) has the molecular formula C12H15NO and a molecular weight of 189.26 g/mol. Its IUPAC name is 3-(2-methoxyprop-2-enyl)-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name3-(2-methoxyprop-2-enyl)-2,3-dihydro-1H-indole
PubChem CID145312543
Molecular FormulaC12H15NO
Molecular Weight189.26 g/mol
Exact Mass189.12
IUPAC Name3-(2-methoxyprop-2-enyl)-2,3-dihydro-1H-indole
SMILESC=C(CC1CNc2ccccc21)OC
InChIInChI=1S/C12H15NO/c1-9(14-2)7-10-8-13-12-6-4-3-5-11(10)12/h3-6,10,13H,1,7-8H2,2H3
InChIKeyDMBVOLSTNGLQFO-UHFFFAOYSA-N
XLogP2.75
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3R)-3-ethyl-2,3-dihydro-1H-indole
CID 92797412
N-(2-chloroprop-2-enyl)-2-(2,3-dihydro-1H-indol-3-yl)acetamide
CID 113464669
N-(cyanomethyl)-2-(2,3-dihydro-1H-indol-3-yl)acetamide
CID 80573201
2-(2,3-dihydro-1H-indol-3-yl)-N',N'-dimethylacetohydrazide
CID 83020755
2-(2,3-dihydro-1H-indol-3-yl)-1-(2-methoxyphenyl)ethanone
CID 116593595
methyl 2-[[2-(2,3-dihydro-1H-indol-3-yl)acetyl]amino]benzoate
CID 155924431
methyl (2S)-2-[[2-(2,3-dihydro-1H-indol-3-yl)acetyl]amino]-3-methylbutanoate
CID 80572159
N-(cyclopropylmethyl)-2-(2,3-dihydro-1H-indol-3-yl)acetamide
CID 80573936
propyl 2-(2,3-dihydro-1H-indol-3-yl)acetate
CID 79600080
N-(2,3-dihydro-1H-indol-3-ylmethyl)propan-1-amine
CID 80567020
3-ethyl-2,3-dihydro-1H-indole;fluorobenzene
CID 174405299
3-(methylsulfonylmethyl)-2,3-dihydro-1H-indole
CID 115104033

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyprop-2-enyl)-2,3-dihydro-1H-indole?
The IUPAC name of 3-(2-methoxyprop-2-enyl)-2,3-dihydro-1H-indole (CID 145312543) is 3-(2-methoxyprop-2-enyl)-2,3-dihydro-1H-indole.
What is the SMILES notation for 3-(2-methoxyprop-2-enyl)-2,3-dihydro-1H-indole?
The canonical SMILES for 3-(2-methoxyprop-2-enyl)-2,3-dihydro-1H-indole is C=C(CC1CNc2ccccc21)OC.
What is the InChIKey of 3-(2-methoxyprop-2-enyl)-2,3-dihydro-1H-indole?
The InChIKey is DMBVOLSTNGLQFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO/c1-9(14-2)7-10-8-13-12-6-4-3-5-11(10)12/h3-6,10,13H,1,7-8H2,2H3.
What are the key properties of 3-(2-methoxyprop-2-enyl)-2,3-dihydro-1H-indole?
3-(2-methoxyprop-2-enyl)-2,3-dihydro-1H-indole has a molecular weight of 189.26 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyprop-2-enyl)-2,3-dihydro-1H-indole is sourced from PubChem (CID 145312543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).