3-(3-cyclopropyloxyphenyl)-2,5-dihydro-1H-pyrrole

C13H15NO — CID 114522779

IUPAC3-(3-cyclopropyloxyphenyl)-2,5-dihydro-1H-pyrrole
SMILESC1=C(c2cccc(OC3CC3)c2)CNC1
InChIInChI=1S/C13H15NO/c1-2-10(11-6-7-14-9-11)8-13(3-1)15-12-4-5-12/h1-3,6,8,12,14H,4-5,7,9H2
InChIKeyHHXQOVPUCDKFED-UHFFFAOYSA-N
MW201.27 g/mol
LogP2.21
Rot. Bonds3

About 3-(3-cyclopropyloxyphenyl)-2,5-dihydro-1H-pyrrole

3-(3-cyclopropyloxyphenyl)-2,5-dihydro-1H-pyrrole (PubChem CID 114522779) has the molecular formula C13H15NO and a molecular weight of 201.27 g/mol. Its IUPAC name is 3-(3-cyclopropyloxyphenyl)-2,5-dihydro-1H-pyrrole.

Molecular Properties

Compound Name3-(3-cyclopropyloxyphenyl)-2,5-dihydro-1H-pyrrole
PubChem CID114522779
Molecular FormulaC13H15NO
Molecular Weight201.27 g/mol
Exact Mass201.12
IUPAC Name3-(3-cyclopropyloxyphenyl)-2,5-dihydro-1H-pyrrole
SMILESC1=C(c2cccc(OC3CC3)c2)CNC1
InChIInChI=1S/C13H15NO/c1-2-10(11-6-7-14-9-11)8-13(3-1)15-12-4-5-12/h1-3,6,8,12,14H,4-5,7,9H2
InChIKeyHHXQOVPUCDKFED-UHFFFAOYSA-N
XLogP2.21
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 59418392
4-(3-cyclopropyloxyphenyl)-2-methylphenol
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5-(3-cyclopropyloxyphenyl)-2,3-dihydro-1H-indole
CID 114522456
2-chloro-3-(3-cyclopropyloxyphenyl)pyrazine
CID 114523139
5-(3-cyclobutyloxyphenyl)-1H-pyrazole
CID 175709827
5-(3-cyclopropyloxyphenyl)thiophene-2-carboxylic acid
CID 114522421
5-(3-methoxyphenyl)-2,3,4,7-tetrahydro-1H-azepine
CID 71262155
3-[3-(3-methylphenyl)phenoxy]azetidine
CID 46204424
4-(4-cyclopentyloxyphenyl)-1,2,3,6-tetrahydropyridine
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CID 154668725

Frequently Asked Questions

What is the IUPAC name of 3-(3-cyclopropyloxyphenyl)-2,5-dihydro-1H-pyrrole?
The IUPAC name of 3-(3-cyclopropyloxyphenyl)-2,5-dihydro-1H-pyrrole (CID 114522779) is 3-(3-cyclopropyloxyphenyl)-2,5-dihydro-1H-pyrrole.
What is the SMILES notation for 3-(3-cyclopropyloxyphenyl)-2,5-dihydro-1H-pyrrole?
The canonical SMILES for 3-(3-cyclopropyloxyphenyl)-2,5-dihydro-1H-pyrrole is C1=C(c2cccc(OC3CC3)c2)CNC1.
What is the InChIKey of 3-(3-cyclopropyloxyphenyl)-2,5-dihydro-1H-pyrrole?
The InChIKey is HHXQOVPUCDKFED-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO/c1-2-10(11-6-7-14-9-11)8-13(3-1)15-12-4-5-12/h1-3,6,8,12,14H,4-5,7,9H2.
What are the key properties of 3-(3-cyclopropyloxyphenyl)-2,5-dihydro-1H-pyrrole?
3-(3-cyclopropyloxyphenyl)-2,5-dihydro-1H-pyrrole has a molecular weight of 201.27 g/mol, XLogP of 2.21, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-cyclopropyloxyphenyl)-2,5-dihydro-1H-pyrrole is sourced from PubChem (CID 114522779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).