(2S)-5-methoxy-2-[(1S)-1-phenylprop-2-enyl]-2,3-dihydro-1H-indole

C18H19NO — CID 135034724

IUPAC(2S)-5-methoxy-2-[(1S)-1-phenylprop-2-enyl]-2,3-dihydro-1H-indole
SMILESC=C[C@@H](c1ccccc1)[C@@H]1Cc2cc(OC)ccc2N1
InChIInChI=1S/C18H19NO/c1-3-16(13-7-5-4-6-8-13)18-12-14-11-15(20-2)9-10-17(14)19-18/h3-11,16,18-19H,1,12H2,2H3/t16-,18-/m0/s1
InChIKeyQWJAZHJUIOPDMM-WMZOPIPTSA-N
MW265.36 g/mol
LogP4.00
Rot. Bonds4

About (2S)-5-methoxy-2-[(1S)-1-phenylprop-2-enyl]-2,3-dihydro-1H-indole

(2S)-5-methoxy-2-[(1S)-1-phenylprop-2-enyl]-2,3-dihydro-1H-indole (PubChem CID 135034724) has the molecular formula C18H19NO and a molecular weight of 265.36 g/mol. Its IUPAC name is (2S)-5-methoxy-2-[(1S)-1-phenylprop-2-enyl]-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name(2S)-5-methoxy-2-[(1S)-1-phenylprop-2-enyl]-2,3-dihydro-1H-indole
PubChem CID135034724
Molecular FormulaC18H19NO
Molecular Weight265.36 g/mol
Exact Mass265.15
IUPAC Name(2S)-5-methoxy-2-[(1S)-1-phenylprop-2-enyl]-2,3-dihydro-1H-indole
SMILESC=C[C@@H](c1ccccc1)[C@@H]1Cc2cc(OC)ccc2N1
InChIInChI=1S/C18H19NO/c1-3-16(13-7-5-4-6-8-13)18-12-14-11-15(20-2)9-10-17(14)19-18/h3-11,16,18-19H,1,12H2,2H3/t16-,18-/m0/s1
InChIKeyQWJAZHJUIOPDMM-WMZOPIPTSA-N
XLogP4.00
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

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CID 24825424
[2-(1-Benzenesulfonyl-5-methoxy-2,3-dihydro-1H-indol-3-yl)-ethyl]-dimethyl-amine
CID 10269916
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CID 11724369
n,n-Dimethyl 2-(5-methoxy-2,3-dihydro-1h-indol-3-yl)ethylamine
CID 11806221
2-(6-methoxy-2,3-dihydro-1H-indol-3-yl)-N,N-dimethylethanamine
CID 44359556
(3aS,4R,9bS)-8-butoxy-4-cyclohexyl-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinoline
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Frequently Asked Questions

What is the IUPAC name of (2S)-5-methoxy-2-[(1S)-1-phenylprop-2-enyl]-2,3-dihydro-1H-indole?
The IUPAC name of (2S)-5-methoxy-2-[(1S)-1-phenylprop-2-enyl]-2,3-dihydro-1H-indole (CID 135034724) is (2S)-5-methoxy-2-[(1S)-1-phenylprop-2-enyl]-2,3-dihydro-1H-indole.
What is the SMILES notation for (2S)-5-methoxy-2-[(1S)-1-phenylprop-2-enyl]-2,3-dihydro-1H-indole?
The canonical SMILES for (2S)-5-methoxy-2-[(1S)-1-phenylprop-2-enyl]-2,3-dihydro-1H-indole is C=C[C@@H](c1ccccc1)[C@@H]1Cc2cc(OC)ccc2N1.
What is the InChIKey of (2S)-5-methoxy-2-[(1S)-1-phenylprop-2-enyl]-2,3-dihydro-1H-indole?
The InChIKey is QWJAZHJUIOPDMM-WMZOPIPTSA-N. The full InChI is InChI=1S/C18H19NO/c1-3-16(13-7-5-4-6-8-13)18-12-14-11-15(20-2)9-10-17(14)19-18/h3-11,16,18-19H,1,12H2,2H3/t16-,18-/m0/s1.
What are the key properties of (2S)-5-methoxy-2-[(1S)-1-phenylprop-2-enyl]-2,3-dihydro-1H-indole?
(2S)-5-methoxy-2-[(1S)-1-phenylprop-2-enyl]-2,3-dihydro-1H-indole has a molecular weight of 265.36 g/mol, XLogP of 4.00, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-5-methoxy-2-[(1S)-1-phenylprop-2-enyl]-2,3-dihydro-1H-indole is sourced from PubChem (CID 135034724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).