(4S)-1-benzyl-4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-2-one

C23H27NO3 — CID 11268574

IUPAC(4S)-1-benzyl-4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-2-one
SMILESCOc1ccc([C@@H]2CC(=O)N(Cc3ccccc3)C2)cc1OC1CCCC1
InChIInChI=1S/C23H27NO3/c1-26-21-12-11-18(13-22(21)27-20-9-5-6-10-20)19-14-23(25)24(16-19)15-17-7-3-2-4-8-17/h2-4,7-8,11-13,19-20H,5-6,9-10,14-16H2,1H3/t19-/m1/s1
InChIKeyBVWBCENEPRSZES-LJQANCHMSA-N
MW365.47 g/mol
LogP4.53
Rot. Bonds6

About (4S)-1-benzyl-4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-2-one

(4S)-1-benzyl-4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-2-one (PubChem CID 11268574) has the molecular formula C23H27NO3 and a molecular weight of 365.47 g/mol. Its IUPAC name is (4S)-1-benzyl-4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name(4S)-1-benzyl-4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-2-one
PubChem CID11268574
Molecular FormulaC23H27NO3
Molecular Weight365.47 g/mol
Exact Mass365.20
IUPAC Name(4S)-1-benzyl-4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-2-one
SMILESCOc1ccc([C@@H]2CC(=O)N(Cc3ccccc3)C2)cc1OC1CCCC1
InChIInChI=1S/C23H27NO3/c1-26-21-12-11-18(13-22(21)27-20-9-5-6-10-20)19-14-23(25)24(16-19)15-17-7-3-2-4-8-17/h2-4,7-8,11-13,19-20H,5-6,9-10,14-16H2,1H3/t19-/m1/s1
InChIKeyBVWBCENEPRSZES-LJQANCHMSA-N
XLogP4.53
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.47
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4S)-1-benzyl-4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-2-one?
The IUPAC name of (4S)-1-benzyl-4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-2-one (CID 11268574) is (4S)-1-benzyl-4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-2-one.
What is the SMILES notation for (4S)-1-benzyl-4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-2-one?
The canonical SMILES for (4S)-1-benzyl-4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-2-one is COc1ccc([C@@H]2CC(=O)N(Cc3ccccc3)C2)cc1OC1CCCC1.
What is the InChIKey of (4S)-1-benzyl-4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-2-one?
The InChIKey is BVWBCENEPRSZES-LJQANCHMSA-N. The full InChI is InChI=1S/C23H27NO3/c1-26-21-12-11-18(13-22(21)27-20-9-5-6-10-20)19-14-23(25)24(16-19)15-17-7-3-2-4-8-17/h2-4,7-8,11-13,19-20H,5-6,9-10,14-16H2,1H3/t19-/m1/s1.
What are the key properties of (4S)-1-benzyl-4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-2-one?
(4S)-1-benzyl-4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-2-one has a molecular weight of 365.47 g/mol, XLogP of 4.53, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-1-benzyl-4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-2-one is sourced from PubChem (CID 11268574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).