methyl 3-(5-methoxy-2,3-dihydroindol-1-yl)propanoate;hydrochloride

C13H18ClNO3 — CID 130247458

IUPACmethyl 3-(5-methoxy-2,3-dihydroindol-1-yl)propanoate;hydrochloride
SMILESCOC(=O)CCN1CCc2cc(OC)ccc21.Cl
InChIInChI=1S/C13H17NO3.ClH/c1-16-11-3-4-12-10(9-11)5-7-14(12)8-6-13(15)17-2;/h3-4,9H,5-8H2,1-2H3;1H
InChIKeyQIECOPMYCBJTLT-UHFFFAOYSA-N
MW271.74 g/mol
LogP2.04
Rot. Bonds4

About methyl 3-(5-methoxy-2,3-dihydroindol-1-yl)propanoate;hydrochloride

methyl 3-(5-methoxy-2,3-dihydroindol-1-yl)propanoate;hydrochloride (PubChem CID 130247458) has the molecular formula C13H18ClNO3 and a molecular weight of 271.74 g/mol. Its IUPAC name is methyl 3-(5-methoxy-2,3-dihydroindol-1-yl)propanoate;hydrochloride.

Molecular Properties

Compound Namemethyl 3-(5-methoxy-2,3-dihydroindol-1-yl)propanoate;hydrochloride
PubChem CID130247458
Molecular FormulaC13H18ClNO3
Molecular Weight271.74 g/mol
Exact Mass271.10
IUPAC Namemethyl 3-(5-methoxy-2,3-dihydroindol-1-yl)propanoate;hydrochloride
SMILESCOC(=O)CCN1CCc2cc(OC)ccc21.Cl
InChIInChI=1S/C13H17NO3.ClH/c1-16-11-3-4-12-10(9-11)5-7-14(12)8-6-13(15)17-2;/h3-4,9H,5-8H2,1-2H3;1H
InChIKeyQIECOPMYCBJTLT-UHFFFAOYSA-N
XLogP2.04
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.74
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 3-(5-methoxy-2,3-dihydroindol-1-yl)propanoate;hydrochloride?
The IUPAC name of methyl 3-(5-methoxy-2,3-dihydroindol-1-yl)propanoate;hydrochloride (CID 130247458) is methyl 3-(5-methoxy-2,3-dihydroindol-1-yl)propanoate;hydrochloride.
What is the SMILES notation for methyl 3-(5-methoxy-2,3-dihydroindol-1-yl)propanoate;hydrochloride?
The canonical SMILES for methyl 3-(5-methoxy-2,3-dihydroindol-1-yl)propanoate;hydrochloride is COC(=O)CCN1CCc2cc(OC)ccc21.Cl.
What is the InChIKey of methyl 3-(5-methoxy-2,3-dihydroindol-1-yl)propanoate;hydrochloride?
The InChIKey is QIECOPMYCBJTLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3.ClH/c1-16-11-3-4-12-10(9-11)5-7-14(12)8-6-13(15)17-2;/h3-4,9H,5-8H2,1-2H3;1H.
What are the key properties of methyl 3-(5-methoxy-2,3-dihydroindol-1-yl)propanoate;hydrochloride?
methyl 3-(5-methoxy-2,3-dihydroindol-1-yl)propanoate;hydrochloride has a molecular weight of 271.74 g/mol, XLogP of 2.04, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(5-methoxy-2,3-dihydroindol-1-yl)propanoate;hydrochloride is sourced from PubChem (CID 130247458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).