(5S)-1-benzyl-5-(methoxymethyl)pyrrolidin-2-one

C13H17NO2 — CID 11746118

IUPAC(5S)-1-benzyl-5-(methoxymethyl)pyrrolidin-2-one
SMILESCOC[C@@H]1CCC(=O)N1Cc1ccccc1
InChIInChI=1S/C13H17NO2/c1-16-10-12-7-8-13(15)14(12)9-11-5-3-2-4-6-11/h2-6,12H,7-10H2,1H3/t12-/m0/s1
InChIKeyKBVPNFBXYMEJSM-LBPRGKRZSA-N
MW219.28 g/mol
LogP1.82
Rot. Bonds4

About (5S)-1-benzyl-5-(methoxymethyl)pyrrolidin-2-one

(5S)-1-benzyl-5-(methoxymethyl)pyrrolidin-2-one (PubChem CID 11746118) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is (5S)-1-benzyl-5-(methoxymethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name(5S)-1-benzyl-5-(methoxymethyl)pyrrolidin-2-one
PubChem CID11746118
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name(5S)-1-benzyl-5-(methoxymethyl)pyrrolidin-2-one
SMILESCOC[C@@H]1CCC(=O)N1Cc1ccccc1
InChIInChI=1S/C13H17NO2/c1-16-10-12-7-8-13(15)14(12)9-11-5-3-2-4-6-11/h2-6,12H,7-10H2,1H3/t12-/m0/s1
InChIKeyKBVPNFBXYMEJSM-LBPRGKRZSA-N
XLogP1.82
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-phenylpropyl)oxolane-2-carboxamide
CID 6467126
2-Pyrrolidinone, 5-methoxy-1-(phenylmethyl)-, (+-)-
CID 3077957
(S)-1-Benzyl-5-carboxy-2-pyrrolidinone
CID 10900113
N-benzyl-2-[(3R,5Z,14R)-2,11-dioxo-12-oxa-1-azabicyclo[12.3.0]heptadec-5-en-3-yl]-N-(2-hydroxyethyl)acetamide
CID 44201784
4-Benzyl-3-propionyl-1,3-oxazolidine
CID 11842098
(S)-Methyl 1-benzyl-5-oxopyrrolidine-2-carboxylate
CID 10998904
L-Proline, 1-((4-fluorophenyl)methyl)-5-oxo-, methyl ester
CID 3042457
2-Pyrrolidinone, 1-(phenylmethyl)-5-propoxy-, (+-)-
CID 3077959
2-Pyrrolidinone, 5-(1-methylethoxy)-1-(phenylmethyl)-, (+-)-
CID 3077960
1-Benzyl-5-butoxypyrrolidin-2-one
CID 3077961
1-Benzyl-5-(pentyloxy)pyrrolidin-2-one
CID 3077962
2-Pyrrolidinone, 5-(hexyloxy)-1-(phenylmethyl)-, (+-)-
CID 3077963

Frequently Asked Questions

What is the IUPAC name of (5S)-1-benzyl-5-(methoxymethyl)pyrrolidin-2-one?
The IUPAC name of (5S)-1-benzyl-5-(methoxymethyl)pyrrolidin-2-one (CID 11746118) is (5S)-1-benzyl-5-(methoxymethyl)pyrrolidin-2-one.
What is the SMILES notation for (5S)-1-benzyl-5-(methoxymethyl)pyrrolidin-2-one?
The canonical SMILES for (5S)-1-benzyl-5-(methoxymethyl)pyrrolidin-2-one is COC[C@@H]1CCC(=O)N1Cc1ccccc1.
What is the InChIKey of (5S)-1-benzyl-5-(methoxymethyl)pyrrolidin-2-one?
The InChIKey is KBVPNFBXYMEJSM-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H17NO2/c1-16-10-12-7-8-13(15)14(12)9-11-5-3-2-4-6-11/h2-6,12H,7-10H2,1H3/t12-/m0/s1.
What are the key properties of (5S)-1-benzyl-5-(methoxymethyl)pyrrolidin-2-one?
(5S)-1-benzyl-5-(methoxymethyl)pyrrolidin-2-one has a molecular weight of 219.28 g/mol, XLogP of 1.82, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-1-benzyl-5-(methoxymethyl)pyrrolidin-2-one is sourced from PubChem (CID 11746118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).