(5S)-1-[(2-chlorophenyl)methyl]-5-[2-[di(propan-2-yl)amino]-1-hydroxyethyl]pyrrolidin-2-one

C19H29ClN2O2 — CID 139774854

IUPAC(5S)-1-[(2-chlorophenyl)methyl]-5-[2-[di(propan-2-yl)amino]-1-hydroxyethyl]pyrrolidin-2-one
SMILESCC(C)N(CC(O)[C@@H]1CCC(=O)N1Cc1ccccc1Cl)C(C)C
InChIInChI=1S/C19H29ClN2O2/c1-13(2)21(14(3)4)12-18(23)17-9-10-19(24)22(17)11-15-7-5-6-8-16(15)20/h5-8,13-14,17-18,23H,9-12H2,1-4H3/t17-,18?/m0/s1
InChIKeyGUSRZGNTMZNSAM-ZENAZSQFSA-N
MW352.91 g/mol
LogP3.31
Rot. Bonds7

About (5S)-1-[(2-chlorophenyl)methyl]-5-[2-[di(propan-2-yl)amino]-1-hydroxyethyl]pyrrolidin-2-one

(5S)-1-[(2-chlorophenyl)methyl]-5-[2-[di(propan-2-yl)amino]-1-hydroxyethyl]pyrrolidin-2-one (PubChem CID 139774854) has the molecular formula C19H29ClN2O2 and a molecular weight of 352.91 g/mol. Its IUPAC name is (5S)-1-[(2-chlorophenyl)methyl]-5-[2-[di(propan-2-yl)amino]-1-hydroxyethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(5S)-1-[(2-chlorophenyl)methyl]-5-[2-[di(propan-2-yl)amino]-1-hydroxyethyl]pyrrolidin-2-one
PubChem CID139774854
Molecular FormulaC19H29ClN2O2
Molecular Weight352.91 g/mol
Exact Mass352.19
IUPAC Name(5S)-1-[(2-chlorophenyl)methyl]-5-[2-[di(propan-2-yl)amino]-1-hydroxyethyl]pyrrolidin-2-one
SMILESCC(C)N(CC(O)[C@@H]1CCC(=O)N1Cc1ccccc1Cl)C(C)C
InChIInChI=1S/C19H29ClN2O2/c1-13(2)21(14(3)4)12-18(23)17-9-10-19(24)22(17)11-15-7-5-6-8-16(15)20/h5-8,13-14,17-18,23H,9-12H2,1-4H3/t17-,18?/m0/s1
InChIKeyGUSRZGNTMZNSAM-ZENAZSQFSA-N
XLogP3.31
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.91
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5S)-1-[(2-chlorophenyl)methyl]-5-[2-[di(propan-2-yl)amino]-1-hydroxyethyl]pyrrolidin-2-one?
The IUPAC name of (5S)-1-[(2-chlorophenyl)methyl]-5-[2-[di(propan-2-yl)amino]-1-hydroxyethyl]pyrrolidin-2-one (CID 139774854) is (5S)-1-[(2-chlorophenyl)methyl]-5-[2-[di(propan-2-yl)amino]-1-hydroxyethyl]pyrrolidin-2-one.
What is the SMILES notation for (5S)-1-[(2-chlorophenyl)methyl]-5-[2-[di(propan-2-yl)amino]-1-hydroxyethyl]pyrrolidin-2-one?
The canonical SMILES for (5S)-1-[(2-chlorophenyl)methyl]-5-[2-[di(propan-2-yl)amino]-1-hydroxyethyl]pyrrolidin-2-one is CC(C)N(CC(O)[C@@H]1CCC(=O)N1Cc1ccccc1Cl)C(C)C.
What is the InChIKey of (5S)-1-[(2-chlorophenyl)methyl]-5-[2-[di(propan-2-yl)amino]-1-hydroxyethyl]pyrrolidin-2-one?
The InChIKey is GUSRZGNTMZNSAM-ZENAZSQFSA-N. The full InChI is InChI=1S/C19H29ClN2O2/c1-13(2)21(14(3)4)12-18(23)17-9-10-19(24)22(17)11-15-7-5-6-8-16(15)20/h5-8,13-14,17-18,23H,9-12H2,1-4H3/t17-,18?/m0/s1.
What are the key properties of (5S)-1-[(2-chlorophenyl)methyl]-5-[2-[di(propan-2-yl)amino]-1-hydroxyethyl]pyrrolidin-2-one?
(5S)-1-[(2-chlorophenyl)methyl]-5-[2-[di(propan-2-yl)amino]-1-hydroxyethyl]pyrrolidin-2-one has a molecular weight of 352.91 g/mol, XLogP of 3.31, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-1-[(2-chlorophenyl)methyl]-5-[2-[di(propan-2-yl)amino]-1-hydroxyethyl]pyrrolidin-2-one is sourced from PubChem (CID 139774854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).