2-[1-[(3-methoxyphenyl)methyl]pyrrolidin-2-yl]-1H-pyrrole

C16H20N2O — CID 71912731

IUPAC2-[1-[(3-methoxyphenyl)methyl]pyrrolidin-2-yl]-1H-pyrrole
SMILESCOc1cccc(CN2CCCC2c2ccc[nH]2)c1
InChIInChI=1S/C16H20N2O/c1-19-14-6-2-5-13(11-14)12-18-10-4-8-16(18)15-7-3-9-17-15/h2-3,5-7,9,11,16-17H,4,8,10,12H2,1H3
InChIKeyCMFKLMWYKNOEAX-UHFFFAOYSA-N
MW256.35 g/mol
LogP3.36
Rot. Bonds4

About 2-[1-[(3-methoxyphenyl)methyl]pyrrolidin-2-yl]-1H-pyrrole

2-[1-[(3-methoxyphenyl)methyl]pyrrolidin-2-yl]-1H-pyrrole (PubChem CID 71912731) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is 2-[1-[(3-methoxyphenyl)methyl]pyrrolidin-2-yl]-1H-pyrrole.

Molecular Properties

Compound Name2-[1-[(3-methoxyphenyl)methyl]pyrrolidin-2-yl]-1H-pyrrole
PubChem CID71912731
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name2-[1-[(3-methoxyphenyl)methyl]pyrrolidin-2-yl]-1H-pyrrole
SMILESCOc1cccc(CN2CCCC2c2ccc[nH]2)c1
InChIInChI=1S/C16H20N2O/c1-19-14-6-2-5-13(11-14)12-18-10-4-8-16(18)15-7-3-9-17-15/h2-3,5-7,9,11,16-17H,4,8,10,12H2,1H3
InChIKeyCMFKLMWYKNOEAX-UHFFFAOYSA-N
XLogP3.36
TPSA28.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(3-methoxyphenyl)methyl]pyrrolidin-2-yl]-1H-pyrrole?
The IUPAC name of 2-[1-[(3-methoxyphenyl)methyl]pyrrolidin-2-yl]-1H-pyrrole (CID 71912731) is 2-[1-[(3-methoxyphenyl)methyl]pyrrolidin-2-yl]-1H-pyrrole.
What is the SMILES notation for 2-[1-[(3-methoxyphenyl)methyl]pyrrolidin-2-yl]-1H-pyrrole?
The canonical SMILES for 2-[1-[(3-methoxyphenyl)methyl]pyrrolidin-2-yl]-1H-pyrrole is COc1cccc(CN2CCCC2c2ccc[nH]2)c1.
What is the InChIKey of 2-[1-[(3-methoxyphenyl)methyl]pyrrolidin-2-yl]-1H-pyrrole?
The InChIKey is CMFKLMWYKNOEAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-19-14-6-2-5-13(11-14)12-18-10-4-8-16(18)15-7-3-9-17-15/h2-3,5-7,9,11,16-17H,4,8,10,12H2,1H3.
What are the key properties of 2-[1-[(3-methoxyphenyl)methyl]pyrrolidin-2-yl]-1H-pyrrole?
2-[1-[(3-methoxyphenyl)methyl]pyrrolidin-2-yl]-1H-pyrrole has a molecular weight of 256.35 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(3-methoxyphenyl)methyl]pyrrolidin-2-yl]-1H-pyrrole is sourced from PubChem (CID 71912731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).