(3S)-3-[2-[(3S)-3-(1-methylpyrrol-2-yl)morpholin-4-yl]ethyl]oxolan-2-one

C15H22N2O3 — CID 129430025

IUPAC(3S)-3-[2-[(3S)-3-(1-methylpyrrol-2-yl)morpholin-4-yl]ethyl]oxolan-2-one
SMILESCn1cccc1[C@H]1COCCN1CC[C@H]1CCOC1=O
InChIInChI=1S/C15H22N2O3/c1-16-6-2-3-13(16)14-11-19-10-8-17(14)7-4-12-5-9-20-15(12)18/h2-3,6,12,14H,4-5,7-11H2,1H3/t12-,14+/m0/s1
InChIKeyVQLQDDJUDHGJRI-GXTWGEPZSA-N
MW278.35 g/mol
LogP1.35
Rot. Bonds4

About (3S)-3-[2-[(3S)-3-(1-methylpyrrol-2-yl)morpholin-4-yl]ethyl]oxolan-2-one

(3S)-3-[2-[(3S)-3-(1-methylpyrrol-2-yl)morpholin-4-yl]ethyl]oxolan-2-one (PubChem CID 129430025) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is (3S)-3-[2-[(3S)-3-(1-methylpyrrol-2-yl)morpholin-4-yl]ethyl]oxolan-2-one.

Molecular Properties

Compound Name(3S)-3-[2-[(3S)-3-(1-methylpyrrol-2-yl)morpholin-4-yl]ethyl]oxolan-2-one
PubChem CID129430025
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name(3S)-3-[2-[(3S)-3-(1-methylpyrrol-2-yl)morpholin-4-yl]ethyl]oxolan-2-one
SMILESCn1cccc1[C@H]1COCCN1CC[C@H]1CCOC1=O
InChIInChI=1S/C15H22N2O3/c1-16-6-2-3-13(16)14-11-19-10-8-17(14)7-4-12-5-9-20-15(12)18/h2-3,6,12,14H,4-5,7-11H2,1H3/t12-,14+/m0/s1
InChIKeyVQLQDDJUDHGJRI-GXTWGEPZSA-N
XLogP1.35
TPSA43.70 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-[2-[(3S)-3-(1-methylpyrrol-2-yl)morpholin-4-yl]ethyl]oxolan-2-one?
The IUPAC name of (3S)-3-[2-[(3S)-3-(1-methylpyrrol-2-yl)morpholin-4-yl]ethyl]oxolan-2-one (CID 129430025) is (3S)-3-[2-[(3S)-3-(1-methylpyrrol-2-yl)morpholin-4-yl]ethyl]oxolan-2-one.
What is the SMILES notation for (3S)-3-[2-[(3S)-3-(1-methylpyrrol-2-yl)morpholin-4-yl]ethyl]oxolan-2-one?
The canonical SMILES for (3S)-3-[2-[(3S)-3-(1-methylpyrrol-2-yl)morpholin-4-yl]ethyl]oxolan-2-one is Cn1cccc1[C@H]1COCCN1CC[C@H]1CCOC1=O.
What is the InChIKey of (3S)-3-[2-[(3S)-3-(1-methylpyrrol-2-yl)morpholin-4-yl]ethyl]oxolan-2-one?
The InChIKey is VQLQDDJUDHGJRI-GXTWGEPZSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-16-6-2-3-13(16)14-11-19-10-8-17(14)7-4-12-5-9-20-15(12)18/h2-3,6,12,14H,4-5,7-11H2,1H3/t12-,14+/m0/s1.
What are the key properties of (3S)-3-[2-[(3S)-3-(1-methylpyrrol-2-yl)morpholin-4-yl]ethyl]oxolan-2-one?
(3S)-3-[2-[(3S)-3-(1-methylpyrrol-2-yl)morpholin-4-yl]ethyl]oxolan-2-one has a molecular weight of 278.35 g/mol, XLogP of 1.35, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[2-[(3S)-3-(1-methylpyrrol-2-yl)morpholin-4-yl]ethyl]oxolan-2-one is sourced from PubChem (CID 129430025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).