2-cyclopropyl-1-[3-hydroxy-3-[(3-methylphenoxy)methyl]pyrrolidin-1-yl]ethanone

C17H23NO3 — CID 132775743

IUPAC2-cyclopropyl-1-[3-hydroxy-3-[(3-methylphenoxy)methyl]pyrrolidin-1-yl]ethanone
SMILESCc1cccc(OCC2(O)CCN(C(=O)CC3CC3)C2)c1
InChIInChI=1S/C17H23NO3/c1-13-3-2-4-15(9-13)21-12-17(20)7-8-18(11-17)16(19)10-14-5-6-14/h2-4,9,14,20H,5-8,10-12H2,1H3
InChIKeySECVHETWFQFVNP-UHFFFAOYSA-N
MW289.37 g/mol
LogP2.14
Rot. Bonds5

About 2-cyclopropyl-1-[3-hydroxy-3-[(3-methylphenoxy)methyl]pyrrolidin-1-yl]ethanone

2-cyclopropyl-1-[3-hydroxy-3-[(3-methylphenoxy)methyl]pyrrolidin-1-yl]ethanone (PubChem CID 132775743) has the molecular formula C17H23NO3 and a molecular weight of 289.37 g/mol. Its IUPAC name is 2-cyclopropyl-1-[3-hydroxy-3-[(3-methylphenoxy)methyl]pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name2-cyclopropyl-1-[3-hydroxy-3-[(3-methylphenoxy)methyl]pyrrolidin-1-yl]ethanone
PubChem CID132775743
Molecular FormulaC17H23NO3
Molecular Weight289.37 g/mol
Exact Mass289.17
IUPAC Name2-cyclopropyl-1-[3-hydroxy-3-[(3-methylphenoxy)methyl]pyrrolidin-1-yl]ethanone
SMILESCc1cccc(OCC2(O)CCN(C(=O)CC3CC3)C2)c1
InChIInChI=1S/C17H23NO3/c1-13-3-2-4-15(9-13)21-12-17(20)7-8-18(11-17)16(19)10-14-5-6-14/h2-4,9,14,20H,5-8,10-12H2,1H3
InChIKeySECVHETWFQFVNP-UHFFFAOYSA-N
XLogP2.14
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.37
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-hydroxy-3-[(3-methylphenoxy)methyl]pyrrolidin-1-yl]-2-(2-methylimidazol-1-yl)ethanone
CID 132764139
1-[3-hydroxy-3-[(3-methylphenoxy)methyl]pyrrolidin-1-yl]-3-(1-methylpyrazol-4-yl)propan-1-one
CID 132764596
2-[3-hydroxy-3-[(3-methylphenoxy)methyl]pyrrolidin-1-yl]-1-morpholin-4-ylethanone
CID 132764302
[3-hydroxy-3-[(3-methylphenoxy)methyl]piperidin-1-yl]-pyrimidin-2-ylmethanone
CID 132764056
1-[3-[(3-fluorophenoxy)methyl]-3-hydroxypyrrolidin-1-yl]-2-phenoxyethanone
CID 132770532
[6-hydroxy-6-[(3-methylphenoxy)methyl]-1,4-oxazepan-4-yl]-(oxan-4-yl)methanone
CID 132764813
N-[2-[3-methoxy-3-[(3-methylphenoxy)methyl]pyrrolidin-1-yl]-2-oxoethyl]acetamide
CID 132948466
[3-hydroxy-3-[(3-methylphenoxy)methyl]piperidin-1-yl]-(1-propylpyrazol-3-yl)methanone
CID 132777609
methyl 4-[(3-methylphenoxy)methyl]piperidine-1-carboxylate
CID 110638931
1-[3-methoxy-3-[(3-methylphenoxy)methyl]pyrrolidin-1-yl]-2-pyridin-4-ylethanone
CID 132764475
2-[1-[5-(3-methylphenoxy)pentanoyl]piperidin-4-yl]acetic acid
CID 119178022
2-[1-[4-(3-methylphenoxy)butanoyl]piperidin-4-yl]acetamide
CID 56813577

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-1-[3-hydroxy-3-[(3-methylphenoxy)methyl]pyrrolidin-1-yl]ethanone?
The IUPAC name of 2-cyclopropyl-1-[3-hydroxy-3-[(3-methylphenoxy)methyl]pyrrolidin-1-yl]ethanone (CID 132775743) is 2-cyclopropyl-1-[3-hydroxy-3-[(3-methylphenoxy)methyl]pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 2-cyclopropyl-1-[3-hydroxy-3-[(3-methylphenoxy)methyl]pyrrolidin-1-yl]ethanone?
The canonical SMILES for 2-cyclopropyl-1-[3-hydroxy-3-[(3-methylphenoxy)methyl]pyrrolidin-1-yl]ethanone is Cc1cccc(OCC2(O)CCN(C(=O)CC3CC3)C2)c1.
What is the InChIKey of 2-cyclopropyl-1-[3-hydroxy-3-[(3-methylphenoxy)methyl]pyrrolidin-1-yl]ethanone?
The InChIKey is SECVHETWFQFVNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO3/c1-13-3-2-4-15(9-13)21-12-17(20)7-8-18(11-17)16(19)10-14-5-6-14/h2-4,9,14,20H,5-8,10-12H2,1H3.
What are the key properties of 2-cyclopropyl-1-[3-hydroxy-3-[(3-methylphenoxy)methyl]pyrrolidin-1-yl]ethanone?
2-cyclopropyl-1-[3-hydroxy-3-[(3-methylphenoxy)methyl]pyrrolidin-1-yl]ethanone has a molecular weight of 289.37 g/mol, XLogP of 2.14, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-1-[3-hydroxy-3-[(3-methylphenoxy)methyl]pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 132775743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).