(3R)-3-(deuteriomethyl)-1-prop-2-enyl-2,3-dihydroindole

C12H15N — CID 101350762

IUPAC(3R)-3-(deuteriomethyl)-1-prop-2-enyl-2,3-dihydroindole
SMILES[2H]C[C@H]1CN(CC=C)c2ccccc21
InChIInChI=1S/C12H15N/c1-3-8-13-9-10(2)11-6-4-5-7-12(11)13/h3-7,10H,1,8-9H2,2H3/t10-/m0/s1/i2D
InChIKeyJSGUCJRDMYGLJD-HZQQZBLJSA-N
MW174.27 g/mol
LogP2.80
Rot. Bonds3

About (3R)-3-(deuteriomethyl)-1-prop-2-enyl-2,3-dihydroindole

(3R)-3-(deuteriomethyl)-1-prop-2-enyl-2,3-dihydroindole (PubChem CID 101350762) has the molecular formula C12H15N and a molecular weight of 174.27 g/mol. Its IUPAC name is (3R)-3-(deuteriomethyl)-1-prop-2-enyl-2,3-dihydroindole.

Molecular Properties

Compound Name(3R)-3-(deuteriomethyl)-1-prop-2-enyl-2,3-dihydroindole
PubChem CID101350762
Molecular FormulaC12H15N
Molecular Weight174.27 g/mol
Exact Mass174.13
IUPAC Name(3R)-3-(deuteriomethyl)-1-prop-2-enyl-2,3-dihydroindole
SMILES[2H]C[C@H]1CN(CC=C)c2ccccc21
InChIInChI=1S/C12H15N/c1-3-8-13-9-10(2)11-6-4-5-7-12(11)13/h3-7,10H,1,8-9H2,2H3/t10-/m0/s1/i2D
InChIKeyJSGUCJRDMYGLJD-HZQQZBLJSA-N
XLogP2.80
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.27
LogP ≤ 52.80
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 (3R)-3-(deuteriomethyl)-1-prop-2-enyl-2,3-dihydroindole?
The IUPAC name of (3R)-3-(deuteriomethyl)-1-prop-2-enyl-2,3-dihydroindole (CID 101350762) is (3R)-3-(deuteriomethyl)-1-prop-2-enyl-2,3-dihydroindole.
What is the SMILES notation for (3R)-3-(deuteriomethyl)-1-prop-2-enyl-2,3-dihydroindole?
The canonical SMILES for (3R)-3-(deuteriomethyl)-1-prop-2-enyl-2,3-dihydroindole is [2H]C[C@H]1CN(CC=C)c2ccccc21.
What is the InChIKey of (3R)-3-(deuteriomethyl)-1-prop-2-enyl-2,3-dihydroindole?
The InChIKey is JSGUCJRDMYGLJD-HZQQZBLJSA-N. The full InChI is InChI=1S/C12H15N/c1-3-8-13-9-10(2)11-6-4-5-7-12(11)13/h3-7,10H,1,8-9H2,2H3/t10-/m0/s1/i2D.
What are the key properties of (3R)-3-(deuteriomethyl)-1-prop-2-enyl-2,3-dihydroindole?
(3R)-3-(deuteriomethyl)-1-prop-2-enyl-2,3-dihydroindole has a molecular weight of 174.27 g/mol, XLogP of 2.80, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(deuteriomethyl)-1-prop-2-enyl-2,3-dihydroindole is sourced from PubChem (CID 101350762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).