[2-(3-methoxyphenyl)pyrrolidin-1-yl]-pyrrolidin-3-ylmethanone;hydrochloride

C16H23ClN2O2 — CID 119700020

IUPAC[2-(3-methoxyphenyl)pyrrolidin-1-yl]-pyrrolidin-3-ylmethanone;hydrochloride
SMILESCOc1cccc(C2CCCN2C(=O)C2CCNC2)c1.Cl
InChIInChI=1S/C16H22N2O2.ClH/c1-20-14-5-2-4-12(10-14)15-6-3-9-18(15)16(19)13-7-8-17-11-13;/h2,4-5,10,13,15,17H,3,6-9,11H2,1H3;1H
InChIKeyVXTDFWUZYLRMKN-UHFFFAOYSA-N
MW310.82 g/mol
LogP2.39
Rot. Bonds3

About [2-(3-methoxyphenyl)pyrrolidin-1-yl]-pyrrolidin-3-ylmethanone;hydrochloride

[2-(3-methoxyphenyl)pyrrolidin-1-yl]-pyrrolidin-3-ylmethanone;hydrochloride (PubChem CID 119700020) has the molecular formula C16H23ClN2O2 and a molecular weight of 310.82 g/mol. Its IUPAC name is [2-(3-methoxyphenyl)pyrrolidin-1-yl]-pyrrolidin-3-ylmethanone;hydrochloride.

Molecular Properties

Compound Name[2-(3-methoxyphenyl)pyrrolidin-1-yl]-pyrrolidin-3-ylmethanone;hydrochloride
PubChem CID119700020
Molecular FormulaC16H23ClN2O2
Molecular Weight310.82 g/mol
Exact Mass310.14
IUPAC Name[2-(3-methoxyphenyl)pyrrolidin-1-yl]-pyrrolidin-3-ylmethanone;hydrochloride
SMILESCOc1cccc(C2CCCN2C(=O)C2CCNC2)c1.Cl
InChIInChI=1S/C16H22N2O2.ClH/c1-20-14-5-2-4-12(10-14)15-6-3-9-18(15)16(19)13-7-8-17-11-13;/h2,4-5,10,13,15,17H,3,6-9,11H2,1H3;1H
InChIKeyVXTDFWUZYLRMKN-UHFFFAOYSA-N
XLogP2.39
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.82
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(3-methoxyphenyl)pyrrolidin-1-yl]-pyrrolidin-3-ylmethanone;hydrochloride?
The IUPAC name of [2-(3-methoxyphenyl)pyrrolidin-1-yl]-pyrrolidin-3-ylmethanone;hydrochloride (CID 119700020) is [2-(3-methoxyphenyl)pyrrolidin-1-yl]-pyrrolidin-3-ylmethanone;hydrochloride.
What is the SMILES notation for [2-(3-methoxyphenyl)pyrrolidin-1-yl]-pyrrolidin-3-ylmethanone;hydrochloride?
The canonical SMILES for [2-(3-methoxyphenyl)pyrrolidin-1-yl]-pyrrolidin-3-ylmethanone;hydrochloride is COc1cccc(C2CCCN2C(=O)C2CCNC2)c1.Cl.
What is the InChIKey of [2-(3-methoxyphenyl)pyrrolidin-1-yl]-pyrrolidin-3-ylmethanone;hydrochloride?
The InChIKey is VXTDFWUZYLRMKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2.ClH/c1-20-14-5-2-4-12(10-14)15-6-3-9-18(15)16(19)13-7-8-17-11-13;/h2,4-5,10,13,15,17H,3,6-9,11H2,1H3;1H.
What are the key properties of [2-(3-methoxyphenyl)pyrrolidin-1-yl]-pyrrolidin-3-ylmethanone;hydrochloride?
[2-(3-methoxyphenyl)pyrrolidin-1-yl]-pyrrolidin-3-ylmethanone;hydrochloride has a molecular weight of 310.82 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-methoxyphenyl)pyrrolidin-1-yl]-pyrrolidin-3-ylmethanone;hydrochloride is sourced from PubChem (CID 119700020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).