4-methyl-N-[(3S)-2-oxooxolan-3-yl]pentanamide

C10H17NO3 — CID 100954884

IUPAC4-methyl-N-[(3S)-2-oxooxolan-3-yl]pentanamide
SMILESCC(C)CCC(=O)N[C@H]1CCOC1=O
InChIInChI=1S/C10H17NO3/c1-7(2)3-4-9(12)11-8-5-6-14-10(8)13/h7-8H,3-6H2,1-2H3,(H,11,12)/t8-/m0/s1
InChIKeyHPYQFAOZCOMXHF-QMMMGPOBSA-N
MW199.25 g/mol
LogP0.85
Rot. Bonds4

About 4-methyl-N-[(3S)-2-oxooxolan-3-yl]pentanamide

4-methyl-N-[(3S)-2-oxooxolan-3-yl]pentanamide (PubChem CID 100954884) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is 4-methyl-N-[(3S)-2-oxooxolan-3-yl]pentanamide.

Molecular Properties

Compound Name4-methyl-N-[(3S)-2-oxooxolan-3-yl]pentanamide
PubChem CID100954884
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Name4-methyl-N-[(3S)-2-oxooxolan-3-yl]pentanamide
SMILESCC(C)CCC(=O)N[C@H]1CCOC1=O
InChIInChI=1S/C10H17NO3/c1-7(2)3-4-9(12)11-8-5-6-14-10(8)13/h7-8H,3-6H2,1-2H3,(H,11,12)/t8-/m0/s1
InChIKeyHPYQFAOZCOMXHF-QMMMGPOBSA-N
XLogP0.85
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(3S)-2-oxooxolan-3-yl]pentanamide?
The IUPAC name of 4-methyl-N-[(3S)-2-oxooxolan-3-yl]pentanamide (CID 100954884) is 4-methyl-N-[(3S)-2-oxooxolan-3-yl]pentanamide.
What is the SMILES notation for 4-methyl-N-[(3S)-2-oxooxolan-3-yl]pentanamide?
The canonical SMILES for 4-methyl-N-[(3S)-2-oxooxolan-3-yl]pentanamide is CC(C)CCC(=O)N[C@H]1CCOC1=O.
What is the InChIKey of 4-methyl-N-[(3S)-2-oxooxolan-3-yl]pentanamide?
The InChIKey is HPYQFAOZCOMXHF-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H17NO3/c1-7(2)3-4-9(12)11-8-5-6-14-10(8)13/h7-8H,3-6H2,1-2H3,(H,11,12)/t8-/m0/s1.
What are the key properties of 4-methyl-N-[(3S)-2-oxooxolan-3-yl]pentanamide?
4-methyl-N-[(3S)-2-oxooxolan-3-yl]pentanamide has a molecular weight of 199.25 g/mol, XLogP of 0.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(3S)-2-oxooxolan-3-yl]pentanamide is sourced from PubChem (CID 100954884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).