methyl 1-[(3-methylpyrrolidin-3-yl)methyl]-2,3-dihydroindole-5-carboxylate;hydrochloride

C16H23ClN2O2 — CID 120902610

IUPACmethyl 1-[(3-methylpyrrolidin-3-yl)methyl]-2,3-dihydroindole-5-carboxylate;hydrochloride
SMILESCOC(=O)c1ccc2c(c1)CCN2CC1(C)CCNC1.Cl
InChIInChI=1S/C16H22N2O2.ClH/c1-16(6-7-17-10-16)11-18-8-5-12-9-13(15(19)20-2)3-4-14(12)18;/h3-4,9,17H,5-8,10-11H2,1-2H3;1H
InChIKeySDWPNSMLAXMFJG-UHFFFAOYSA-N
MW310.82 g/mol
LogP2.26
Rot. Bonds3

About methyl 1-[(3-methylpyrrolidin-3-yl)methyl]-2,3-dihydroindole-5-carboxylate;hydrochloride

methyl 1-[(3-methylpyrrolidin-3-yl)methyl]-2,3-dihydroindole-5-carboxylate;hydrochloride (PubChem CID 120902610) has the molecular formula C16H23ClN2O2 and a molecular weight of 310.82 g/mol. Its IUPAC name is methyl 1-[(3-methylpyrrolidin-3-yl)methyl]-2,3-dihydroindole-5-carboxylate;hydrochloride.

Molecular Properties

Compound Namemethyl 1-[(3-methylpyrrolidin-3-yl)methyl]-2,3-dihydroindole-5-carboxylate;hydrochloride
PubChem CID120902610
Molecular FormulaC16H23ClN2O2
Molecular Weight310.82 g/mol
Exact Mass310.14
IUPAC Namemethyl 1-[(3-methylpyrrolidin-3-yl)methyl]-2,3-dihydroindole-5-carboxylate;hydrochloride
SMILESCOC(=O)c1ccc2c(c1)CCN2CC1(C)CCNC1.Cl
InChIInChI=1S/C16H22N2O2.ClH/c1-16(6-7-17-10-16)11-18-8-5-12-9-13(15(19)20-2)3-4-14(12)18;/h3-4,9,17H,5-8,10-11H2,1-2H3;1H
InChIKeySDWPNSMLAXMFJG-UHFFFAOYSA-N
XLogP2.26
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.82
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 1-[(3-methylpyrrolidin-3-yl)methyl]-2,3-dihydroindole-5-carboxylate;hydrochloride?
The IUPAC name of methyl 1-[(3-methylpyrrolidin-3-yl)methyl]-2,3-dihydroindole-5-carboxylate;hydrochloride (CID 120902610) is methyl 1-[(3-methylpyrrolidin-3-yl)methyl]-2,3-dihydroindole-5-carboxylate;hydrochloride.
What is the SMILES notation for methyl 1-[(3-methylpyrrolidin-3-yl)methyl]-2,3-dihydroindole-5-carboxylate;hydrochloride?
The canonical SMILES for methyl 1-[(3-methylpyrrolidin-3-yl)methyl]-2,3-dihydroindole-5-carboxylate;hydrochloride is COC(=O)c1ccc2c(c1)CCN2CC1(C)CCNC1.Cl.
What is the InChIKey of methyl 1-[(3-methylpyrrolidin-3-yl)methyl]-2,3-dihydroindole-5-carboxylate;hydrochloride?
The InChIKey is SDWPNSMLAXMFJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2.ClH/c1-16(6-7-17-10-16)11-18-8-5-12-9-13(15(19)20-2)3-4-14(12)18;/h3-4,9,17H,5-8,10-11H2,1-2H3;1H.
What are the key properties of methyl 1-[(3-methylpyrrolidin-3-yl)methyl]-2,3-dihydroindole-5-carboxylate;hydrochloride?
methyl 1-[(3-methylpyrrolidin-3-yl)methyl]-2,3-dihydroindole-5-carboxylate;hydrochloride has a molecular weight of 310.82 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[(3-methylpyrrolidin-3-yl)methyl]-2,3-dihydroindole-5-carboxylate;hydrochloride is sourced from PubChem (CID 120902610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).