(4-chlorophenyl)-[(2R,4R)-4-[(2-methylpropan-2-yl)oxy]pyrrolidin-2-yl]methanone

C15H20ClNO2 — CID 126669698

IUPAC(4-chlorophenyl)-[(2R,4R)-4-[(2-methylpropan-2-yl)oxy]pyrrolidin-2-yl]methanone
SMILESCC(C)(C)O[C@H]1CN[C@@H](C(=O)c2ccc(Cl)cc2)C1
InChIInChI=1S/C15H20ClNO2/c1-15(2,3)19-12-8-13(17-9-12)14(18)10-4-6-11(16)7-5-10/h4-7,12-13,17H,8-9H2,1-3H3/t12-,13-/m1/s1
InChIKeyRVFBNJMTKDTNDE-CHWSQXEVSA-N
MW281.78 g/mol
LogP3.07
Rot. Bonds3

About (4-chlorophenyl)-[(2R,4R)-4-[(2-methylpropan-2-yl)oxy]pyrrolidin-2-yl]methanone

(4-chlorophenyl)-[(2R,4R)-4-[(2-methylpropan-2-yl)oxy]pyrrolidin-2-yl]methanone (PubChem CID 126669698) has the molecular formula C15H20ClNO2 and a molecular weight of 281.78 g/mol. Its IUPAC name is (4-chlorophenyl)-[(2R,4R)-4-[(2-methylpropan-2-yl)oxy]pyrrolidin-2-yl]methanone.

Molecular Properties

Compound Name(4-chlorophenyl)-[(2R,4R)-4-[(2-methylpropan-2-yl)oxy]pyrrolidin-2-yl]methanone
PubChem CID126669698
Molecular FormulaC15H20ClNO2
Molecular Weight281.78 g/mol
Exact Mass281.12
IUPAC Name(4-chlorophenyl)-[(2R,4R)-4-[(2-methylpropan-2-yl)oxy]pyrrolidin-2-yl]methanone
SMILESCC(C)(C)O[C@H]1CN[C@@H](C(=O)c2ccc(Cl)cc2)C1
InChIInChI=1S/C15H20ClNO2/c1-15(2,3)19-12-8-13(17-9-12)14(18)10-4-6-11(16)7-5-10/h4-7,12-13,17H,8-9H2,1-3H3/t12-,13-/m1/s1
InChIKeyRVFBNJMTKDTNDE-CHWSQXEVSA-N
XLogP3.07
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.78
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-chlorophenyl)-(4-methoxypyrrolidin-2-yl)methanone
CID 116560565
(3,4-difluorophenyl)-(4-methoxypyrrolidin-2-yl)methanone
CID 116560501
(2S,4R)-N,N-dimethyl-4-[(2-methylpropan-2-yl)oxy]pyrrolidine-2-carboxamide
CID 25181103
azetidin-3-yl-(4-chlorophenyl)methanone;tert-butyl formate
CID 162194799
9H-fluoren-9-ylmethoxycarbonyl (2S,4R)-4-[(2-methylpropan-2-yl)oxy]pyrrolidine-2-carboxylate
CID 18394446
(2S,4R)-4-(4-tert-butylbenzoyl)oxypyrrolidine-2-carboxylic acid
CID 132567550
methyl (2S,4S)-4-(2-tert-butyl-4-chlorophenoxy)pyrrolidine-2-carboxylate
CID 56831403
tert-butyl formate;(4-chlorophenyl)-piperidin-4-ylmethanone
CID 175329360
(3-methoxyphenyl)-(4-methoxypyrrolidin-2-yl)methanone
CID 116560608
4-(4-chlorobenzoyl)-N-[(Z)-methoxyiminomethyl]pyrrolidine-2-carboxamide
CID 137264859
(2S,4S)-4-(4-carboxyphenoxy)pyrrolidine-2-carboxylic acid
CID 58003784
2-[(2R,4S)-4-[(2-methylpropan-2-yl)oxy]pyrrolidin-2-yl]acetic acid
CID 69186735

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-[(2R,4R)-4-[(2-methylpropan-2-yl)oxy]pyrrolidin-2-yl]methanone?
The IUPAC name of (4-chlorophenyl)-[(2R,4R)-4-[(2-methylpropan-2-yl)oxy]pyrrolidin-2-yl]methanone (CID 126669698) is (4-chlorophenyl)-[(2R,4R)-4-[(2-methylpropan-2-yl)oxy]pyrrolidin-2-yl]methanone.
What is the SMILES notation for (4-chlorophenyl)-[(2R,4R)-4-[(2-methylpropan-2-yl)oxy]pyrrolidin-2-yl]methanone?
The canonical SMILES for (4-chlorophenyl)-[(2R,4R)-4-[(2-methylpropan-2-yl)oxy]pyrrolidin-2-yl]methanone is CC(C)(C)O[C@H]1CN[C@@H](C(=O)c2ccc(Cl)cc2)C1.
What is the InChIKey of (4-chlorophenyl)-[(2R,4R)-4-[(2-methylpropan-2-yl)oxy]pyrrolidin-2-yl]methanone?
The InChIKey is RVFBNJMTKDTNDE-CHWSQXEVSA-N. The full InChI is InChI=1S/C15H20ClNO2/c1-15(2,3)19-12-8-13(17-9-12)14(18)10-4-6-11(16)7-5-10/h4-7,12-13,17H,8-9H2,1-3H3/t12-,13-/m1/s1.
What are the key properties of (4-chlorophenyl)-[(2R,4R)-4-[(2-methylpropan-2-yl)oxy]pyrrolidin-2-yl]methanone?
(4-chlorophenyl)-[(2R,4R)-4-[(2-methylpropan-2-yl)oxy]pyrrolidin-2-yl]methanone has a molecular weight of 281.78 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-[(2R,4R)-4-[(2-methylpropan-2-yl)oxy]pyrrolidin-2-yl]methanone is sourced from PubChem (CID 126669698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).