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

C9H15NO3 — CID 10442410

IUPACN-[(3S)-2-oxooxolan-3-yl]pentanamide
SMILESCCCCC(=O)N[C@H]1CCOC1=O
InChIInChI=1S/C9H15NO3/c1-2-3-4-8(11)10-7-5-6-13-9(7)12/h7H,2-6H2,1H3,(H,10,11)/t7-/m0/s1
InChIKeyBFIMURGDHGARTN-ZETCQYMHSA-N
MW185.22 g/mol
LogP0.61
Rot. Bonds4

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

N-[(3S)-2-oxooxolan-3-yl]pentanamide (PubChem CID 10442410) has the molecular formula C9H15NO3 and a molecular weight of 185.22 g/mol. Its IUPAC name is N-[(3S)-2-oxooxolan-3-yl]pentanamide.

Molecular Properties

Compound NameN-[(3S)-2-oxooxolan-3-yl]pentanamide
PubChem CID10442410
Molecular FormulaC9H15NO3
Molecular Weight185.22 g/mol
Exact Mass185.11
IUPAC NameN-[(3S)-2-oxooxolan-3-yl]pentanamide
SMILESCCCCC(=O)N[C@H]1CCOC1=O
InChIInChI=1S/C9H15NO3/c1-2-3-4-8(11)10-7-5-6-13-9(7)12/h7H,2-6H2,1H3,(H,10,11)/t7-/m0/s1
InChIKeyBFIMURGDHGARTN-ZETCQYMHSA-N
XLogP0.61
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.22
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(3S)-2-oxooxolan-3-yl]pentanamide?
The IUPAC name of N-[(3S)-2-oxooxolan-3-yl]pentanamide (CID 10442410) is N-[(3S)-2-oxooxolan-3-yl]pentanamide.
What is the SMILES notation for N-[(3S)-2-oxooxolan-3-yl]pentanamide?
The canonical SMILES for N-[(3S)-2-oxooxolan-3-yl]pentanamide is CCCCC(=O)N[C@H]1CCOC1=O.
What is the InChIKey of N-[(3S)-2-oxooxolan-3-yl]pentanamide?
The InChIKey is BFIMURGDHGARTN-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H15NO3/c1-2-3-4-8(11)10-7-5-6-13-9(7)12/h7H,2-6H2,1H3,(H,10,11)/t7-/m0/s1.
What are the key properties of N-[(3S)-2-oxooxolan-3-yl]pentanamide?
N-[(3S)-2-oxooxolan-3-yl]pentanamide has a molecular weight of 185.22 g/mol, XLogP of 0.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-2-oxooxolan-3-yl]pentanamide is sourced from PubChem (CID 10442410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).