N-(oxolan-2-ylmethyl)butanamide

C9H17NO2 — CID 531792

IUPACN-(oxolan-2-ylmethyl)butanamide
SMILESCCCC(=O)NCC1CCCO1
InChIInChI=1S/C9H17NO2/c1-2-4-9(11)10-7-8-5-3-6-12-8/h8H,2-7H2,1H3,(H,10,11)
InChIKeyCMPSCOBHZJPUAO-UHFFFAOYSA-N
MW171.24 g/mol
LogP1.08
Rot. Bonds4

About N-(oxolan-2-ylmethyl)butanamide

N-(oxolan-2-ylmethyl)butanamide (PubChem CID 531792) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is N-(oxolan-2-ylmethyl)butanamide.

Molecular Properties

Compound NameN-(oxolan-2-ylmethyl)butanamide
PubChem CID531792
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC NameN-(oxolan-2-ylmethyl)butanamide
SMILESCCCC(=O)NCC1CCCO1
InChIInChI=1S/C9H17NO2/c1-2-4-9(11)10-7-8-5-3-6-12-8/h8H,2-7H2,1H3,(H,10,11)
InChIKeyCMPSCOBHZJPUAO-UHFFFAOYSA-N
XLogP1.08
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(oxolan-2-ylmethyl)butanamide?
The IUPAC name of N-(oxolan-2-ylmethyl)butanamide (CID 531792) is N-(oxolan-2-ylmethyl)butanamide.
What is the SMILES notation for N-(oxolan-2-ylmethyl)butanamide?
The canonical SMILES for N-(oxolan-2-ylmethyl)butanamide is CCCC(=O)NCC1CCCO1.
What is the InChIKey of N-(oxolan-2-ylmethyl)butanamide?
The InChIKey is CMPSCOBHZJPUAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-2-4-9(11)10-7-8-5-3-6-12-8/h8H,2-7H2,1H3,(H,10,11).
What are the key properties of N-(oxolan-2-ylmethyl)butanamide?
N-(oxolan-2-ylmethyl)butanamide has a molecular weight of 171.24 g/mol, XLogP of 1.08, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-2-ylmethyl)butanamide is sourced from PubChem (CID 531792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).