(2R)-2-prop-2-enyl-2,3-dihydro-1H-indole

C11H13N — CID 1380957

IUPAC(2R)-2-prop-2-enyl-2,3-dihydro-1H-indole
SMILESC=CC[C@@H]1Cc2ccccc2N1
InChIInChI=1S/C11H13N/c1-2-5-10-8-9-6-3-4-7-11(9)12-10/h2-4,6-7,10,12H,1,5,8H2/t10-/m1/s1
InChIKeyTXWAXSBICZIIDB-SNVBAGLBSA-N
MW159.23 g/mol
LogP2.60
Rot. Bonds2

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

(2R)-2-prop-2-enyl-2,3-dihydro-1H-indole (PubChem CID 1380957) has the molecular formula C11H13N and a molecular weight of 159.23 g/mol. Its IUPAC name is (2R)-2-prop-2-enyl-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name(2R)-2-prop-2-enyl-2,3-dihydro-1H-indole
PubChem CID1380957
Molecular FormulaC11H13N
Molecular Weight159.23 g/mol
Exact Mass159.10
IUPAC Name(2R)-2-prop-2-enyl-2,3-dihydro-1H-indole
SMILESC=CC[C@@H]1Cc2ccccc2N1
InChIInChI=1S/C11H13N/c1-2-5-10-8-9-6-3-4-7-11(9)12-10/h2-4,6-7,10,12H,1,5,8H2/t10-/m1/s1
InChIKeyTXWAXSBICZIIDB-SNVBAGLBSA-N
XLogP2.60
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (2R)-2-prop-2-enyl-2,3-dihydro-1H-indole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2,3-dihydro-1H-indol-2-yl)-N-ethenylethanamine
CID 143815191
[(2S)-2,3-dihydro-1H-indol-2-yl]methanamine
CID 82667971
(2S)-2-(iodomethyl)-2,3-dihydro-1H-indole
CID 26338665
5-fluoro-2-prop-2-enyl-2,3-dihydro-1H-indole
CID 119086663
2-prop-2-enyl-2,3-dihydro-1H-indol-5-ol
CID 102526168
(2R)-2-benzyl-2,3-dihydro-1H-indole
CID 71608217
2-(2,3-dihydro-1H-indol-2-yl)ethanamine;dihydrochloride
CID 165454907
2-(2-methylbutyl)-2,3-dihydro-1H-indole
CID 65042120
3-(2,3-dihydro-1H-indol-2-yl)propan-1-ol
CID 10976039
(2S,3S)-2,3-bis(prop-2-enyl)-1,2,3,4-tetrahydroquinoxaline
CID 743025
N-(2,3-dihydro-1H-indol-2-ylmethyl)-N-methylpropan-2-amine
CID 80567683
N-[[(2S)-2,3-dihydro-1H-indol-2-yl]methyl]propan-2-amine
CID 130522123

Frequently Asked Questions

What is the IUPAC name of (2R)-2-prop-2-enyl-2,3-dihydro-1H-indole?
The IUPAC name of (2R)-2-prop-2-enyl-2,3-dihydro-1H-indole (CID 1380957) is (2R)-2-prop-2-enyl-2,3-dihydro-1H-indole.
What is the SMILES notation for (2R)-2-prop-2-enyl-2,3-dihydro-1H-indole?
The canonical SMILES for (2R)-2-prop-2-enyl-2,3-dihydro-1H-indole is C=CC[C@@H]1Cc2ccccc2N1.
What is the InChIKey of (2R)-2-prop-2-enyl-2,3-dihydro-1H-indole?
The InChIKey is TXWAXSBICZIIDB-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H13N/c1-2-5-10-8-9-6-3-4-7-11(9)12-10/h2-4,6-7,10,12H,1,5,8H2/t10-/m1/s1.
What are the key properties of (2R)-2-prop-2-enyl-2,3-dihydro-1H-indole?
(2R)-2-prop-2-enyl-2,3-dihydro-1H-indole has a molecular weight of 159.23 g/mol, XLogP of 2.60, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-prop-2-enyl-2,3-dihydro-1H-indole is sourced from PubChem (CID 1380957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).