(3R)-3-[4-(cyclopropanecarbonyl)phenoxy]pyrrolidin-2-one

C14H15NO3 — CID 135306604

IUPAC(3R)-3-[4-(cyclopropanecarbonyl)phenoxy]pyrrolidin-2-one
SMILESO=C(c1ccc(O[C@@H]2CCNC2=O)cc1)C1CC1
InChIInChI=1S/C14H15NO3/c16-13(9-1-2-9)10-3-5-11(6-4-10)18-12-7-8-15-14(12)17/h3-6,9,12H,1-2,7-8H2,(H,15,17)/t12-/m1/s1
InChIKeyYMZFCJQVCUCIOU-GFCCVEGCSA-N
MW245.28 g/mol
LogP1.55
Rot. Bonds4

About (3R)-3-[4-(cyclopropanecarbonyl)phenoxy]pyrrolidin-2-one

(3R)-3-[4-(cyclopropanecarbonyl)phenoxy]pyrrolidin-2-one (PubChem CID 135306604) has the molecular formula C14H15NO3 and a molecular weight of 245.28 g/mol. Its IUPAC name is (3R)-3-[4-(cyclopropanecarbonyl)phenoxy]pyrrolidin-2-one.

Molecular Properties

Compound Name(3R)-3-[4-(cyclopropanecarbonyl)phenoxy]pyrrolidin-2-one
PubChem CID135306604
Molecular FormulaC14H15NO3
Molecular Weight245.28 g/mol
Exact Mass245.11
IUPAC Name(3R)-3-[4-(cyclopropanecarbonyl)phenoxy]pyrrolidin-2-one
SMILESO=C(c1ccc(O[C@@H]2CCNC2=O)cc1)C1CC1
InChIInChI=1S/C14H15NO3/c16-13(9-1-2-9)10-3-5-11(6-4-10)18-12-7-8-15-14(12)17/h3-6,9,12H,1-2,7-8H2,(H,15,17)/t12-/m1/s1
InChIKeyYMZFCJQVCUCIOU-GFCCVEGCSA-N
XLogP1.55
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4-(1-aminoethyl)phenoxy]pyrrolidin-2-one
CID 117052210
3-(2-oxoazepan-3-yl)oxybenzoic acid
CID 43176358
4-methoxy-3-(2-oxopyrrolidin-3-yl)oxybenzoic acid
CID 117053782
piperidin-4-yl-(4-trimethylsilyloxyphenyl)methanone
CID 167722571
methyl 3-methoxy-4-(2-oxopyrrolidin-3-yl)oxybenzoate
CID 117053316
[4-(cyclopentylmethoxy)phenyl]-cyclopropylmethanone
CID 6482543
3-(2-acetylphenoxy)pyrrolidin-2-one
CID 117051792
N-cyclopentyl-2-[4-[(3R)-2-oxoazepan-3-yl]oxyphenoxy]acetamide
CID 95290042
(3R)-3-[[6-(4-fluorophenoxy)-3-pyridinyl]oxy]pyrrolidin-2-one
CID 86715088
carbonic acid;cyclopropyl-(4-fluorophenyl)methanone
CID 70591136
piperidin-4-yl-[4-(trifluoromethoxy)phenyl]methanone
CID 23081458
7-(2-oxopyrrolidin-3-yl)oxy-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 146084890

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[4-(cyclopropanecarbonyl)phenoxy]pyrrolidin-2-one?
The IUPAC name of (3R)-3-[4-(cyclopropanecarbonyl)phenoxy]pyrrolidin-2-one (CID 135306604) is (3R)-3-[4-(cyclopropanecarbonyl)phenoxy]pyrrolidin-2-one.
What is the SMILES notation for (3R)-3-[4-(cyclopropanecarbonyl)phenoxy]pyrrolidin-2-one?
The canonical SMILES for (3R)-3-[4-(cyclopropanecarbonyl)phenoxy]pyrrolidin-2-one is O=C(c1ccc(O[C@@H]2CCNC2=O)cc1)C1CC1.
What is the InChIKey of (3R)-3-[4-(cyclopropanecarbonyl)phenoxy]pyrrolidin-2-one?
The InChIKey is YMZFCJQVCUCIOU-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H15NO3/c16-13(9-1-2-9)10-3-5-11(6-4-10)18-12-7-8-15-14(12)17/h3-6,9,12H,1-2,7-8H2,(H,15,17)/t12-/m1/s1.
What are the key properties of (3R)-3-[4-(cyclopropanecarbonyl)phenoxy]pyrrolidin-2-one?
(3R)-3-[4-(cyclopropanecarbonyl)phenoxy]pyrrolidin-2-one has a molecular weight of 245.28 g/mol, XLogP of 1.55, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[4-(cyclopropanecarbonyl)phenoxy]pyrrolidin-2-one is sourced from PubChem (CID 135306604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).