methane;3-oxo-N-(2-oxooxolan-3-yl)pentanamide

C10H17NO4 — CID 159463313

IUPACmethane;3-oxo-N-(2-oxooxolan-3-yl)pentanamide
SMILESC.CCC(=O)CC(=O)NC1CCOC1=O
InChIInChI=1S/C9H13NO4.CH4/c1-2-6(11)5-8(12)10-7-3-4-14-9(7)13;/h7H,2-5H2,1H3,(H,10,12);1H4
InChIKeyLUVZVPJKHMVSDJ-UHFFFAOYSA-N
MW215.25 g/mol
LogP0.42
Rot. Bonds4

About methane;3-oxo-N-(2-oxooxolan-3-yl)pentanamide

methane;3-oxo-N-(2-oxooxolan-3-yl)pentanamide (PubChem CID 159463313) has the molecular formula C10H17NO4 and a molecular weight of 215.25 g/mol. Its IUPAC name is methane;3-oxo-N-(2-oxooxolan-3-yl)pentanamide.

Molecular Properties

Compound Namemethane;3-oxo-N-(2-oxooxolan-3-yl)pentanamide
PubChem CID159463313
Molecular FormulaC10H17NO4
Molecular Weight215.25 g/mol
Exact Mass215.12
IUPAC Namemethane;3-oxo-N-(2-oxooxolan-3-yl)pentanamide
SMILESC.CCC(=O)CC(=O)NC1CCOC1=O
InChIInChI=1S/C9H13NO4.CH4/c1-2-6(11)5-8(12)10-7-3-4-14-9(7)13;/h7H,2-5H2,1H3,(H,10,12);1H4
InChIKeyLUVZVPJKHMVSDJ-UHFFFAOYSA-N
XLogP0.42
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

3-oxo-N-[(3S)-2-oxooxolan-3-yl]pentadecanamide
CID 87606219
N-(2-oxooxolan-3-yl)pentanamide
CID 11513883
(E)-3-oxo-N-[(3S)-2-oxooxolan-3-yl]dodec-6-enamide
CID 56662028
3-methyl-N-(2-oxooxolan-3-yl)pentanamide
CID 59157424
(E)-N-[(3R)-2-oxooxolan-3-yl]hex-3-enamide
CID 59127522
N-[(3R)-2-oxooxolan-3-yl]tetradecanamide
CID 98125839
N-[(3S)-2-oxooxolan-3-yl]heptadecanamide
CID 68865340
12-bromo-3-oxo-N-[(3S)-2-oxooxolan-3-yl]dodecanamide
CID 11014269
3-oxo-N-[(3R)-2-oxooxolan-3-yl]-4-phenylbutanamide
CID 11499897
(Z)-3-oxo-N-[(3S)-2-oxooxolan-3-yl]hexadec-11-enamide
CID 91886142
N-[(3S)-2-oxooxolan-3-yl]-2-propylsulfanylacetamide
CID 11413303
1-ethyl-3-[(3S)-2-oxooxolan-3-yl]urea
CID 127013922

Frequently Asked Questions

What is the IUPAC name of methane;3-oxo-N-(2-oxooxolan-3-yl)pentanamide?
The IUPAC name of methane;3-oxo-N-(2-oxooxolan-3-yl)pentanamide (CID 159463313) is methane;3-oxo-N-(2-oxooxolan-3-yl)pentanamide.
What is the SMILES notation for methane;3-oxo-N-(2-oxooxolan-3-yl)pentanamide?
The canonical SMILES for methane;3-oxo-N-(2-oxooxolan-3-yl)pentanamide is C.CCC(=O)CC(=O)NC1CCOC1=O.
What is the InChIKey of methane;3-oxo-N-(2-oxooxolan-3-yl)pentanamide?
The InChIKey is LUVZVPJKHMVSDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO4.CH4/c1-2-6(11)5-8(12)10-7-3-4-14-9(7)13;/h7H,2-5H2,1H3,(H,10,12);1H4.
What are the key properties of methane;3-oxo-N-(2-oxooxolan-3-yl)pentanamide?
methane;3-oxo-N-(2-oxooxolan-3-yl)pentanamide has a molecular weight of 215.25 g/mol, XLogP of 0.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methane;3-oxo-N-(2-oxooxolan-3-yl)pentanamide is sourced from PubChem (CID 159463313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).