(4S)-4-(oxan-2-yloxy)pyrrolidin-2-one

C9H15NO3 — CID 141338293

IUPAC(4S)-4-(oxan-2-yloxy)pyrrolidin-2-one
SMILESO=C1C[C@H](OC2CCCCO2)CN1
InChIInChI=1S/C9H15NO3/c11-8-5-7(6-10-8)13-9-3-1-2-4-12-9/h7,9H,1-6H2,(H,10,11)/t7-,9?/m0/s1
InChIKeyNPXXZRQUQPUKLO-JAVCKPHESA-N
MW185.22 g/mol
LogP0.42
Rot. Bonds2

About (4S)-4-(oxan-2-yloxy)pyrrolidin-2-one

(4S)-4-(oxan-2-yloxy)pyrrolidin-2-one (PubChem CID 141338293) has the molecular formula C9H15NO3 and a molecular weight of 185.22 g/mol. Its IUPAC name is (4S)-4-(oxan-2-yloxy)pyrrolidin-2-one.

Molecular Properties

Compound Name(4S)-4-(oxan-2-yloxy)pyrrolidin-2-one
PubChem CID141338293
Molecular FormulaC9H15NO3
Molecular Weight185.22 g/mol
Exact Mass185.11
IUPAC Name(4S)-4-(oxan-2-yloxy)pyrrolidin-2-one
SMILESO=C1C[C@H](OC2CCCCO2)CN1
InChIInChI=1S/C9H15NO3/c11-8-5-7(6-10-8)13-9-3-1-2-4-12-9/h7,9H,1-6H2,(H,10,11)/t7-,9?/m0/s1
InChIKeyNPXXZRQUQPUKLO-JAVCKPHESA-N
XLogP0.42
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.22
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4S)-4-(oxan-2-yloxy)oxolan-2-one
CID 139705709
2-cycloheptyloxyoxane
CID 11735764
2-(oxetan-3-yloxy)oxane
CID 54083112
2-(4-methylidenecyclohexyl)oxyoxane
CID 15349885
6-(chloromethyl)-4-(oxan-2-yloxy)oxan-2-one
CID 77459832
3-(oxan-2-yloxy)cyclobutan-1-ol
CID 155584587
6-(2-chloroethyl)-4-(oxan-2-yloxy)oxan-2-one
CID 123260317
trans-(1R,3R)-2-imino-5-(oxan-2-yloxy)cyclohexane-1,3-diol
CID 89143909
(4R)-4-methoxypyrrolidin-2-one
CID 67765203
(2S)-2-[[(1S,6S)-8-tricyclo[4.3.1.01,6]dec-3-enyl]oxy]oxane
CID 98518565
cyclohexyl-[4-(oxan-2-yloxy)cyclohexyl]methanone
CID 140522461
2-[(1S)-3,4,5,5-tetramethylcyclohex-3-en-1-yl]oxyoxane
CID 57121539

Frequently Asked Questions

What is the IUPAC name of (4S)-4-(oxan-2-yloxy)pyrrolidin-2-one?
The IUPAC name of (4S)-4-(oxan-2-yloxy)pyrrolidin-2-one (CID 141338293) is (4S)-4-(oxan-2-yloxy)pyrrolidin-2-one.
What is the SMILES notation for (4S)-4-(oxan-2-yloxy)pyrrolidin-2-one?
The canonical SMILES for (4S)-4-(oxan-2-yloxy)pyrrolidin-2-one is O=C1C[C@H](OC2CCCCO2)CN1.
What is the InChIKey of (4S)-4-(oxan-2-yloxy)pyrrolidin-2-one?
The InChIKey is NPXXZRQUQPUKLO-JAVCKPHESA-N. The full InChI is InChI=1S/C9H15NO3/c11-8-5-7(6-10-8)13-9-3-1-2-4-12-9/h7,9H,1-6H2,(H,10,11)/t7-,9?/m0/s1.
What are the key properties of (4S)-4-(oxan-2-yloxy)pyrrolidin-2-one?
(4S)-4-(oxan-2-yloxy)pyrrolidin-2-one has a molecular weight of 185.22 g/mol, XLogP of 0.42, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(oxan-2-yloxy)pyrrolidin-2-one is sourced from PubChem (CID 141338293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).