N-(oxolan-2-ylmethyl)propanamide

C8H15NO2 — CID 4131915

IUPACN-(oxolan-2-ylmethyl)propanamide
SMILESCCC(=O)NCC1CCCO1
InChIInChI=1S/C8H15NO2/c1-2-8(10)9-6-7-4-3-5-11-7/h7H,2-6H2,1H3,(H,9,10)
InChIKeySNLRYUGDUCPNDC-UHFFFAOYSA-N
MW157.21 g/mol
LogP0.69
Rot. Bonds3

About N-(oxolan-2-ylmethyl)propanamide

N-(oxolan-2-ylmethyl)propanamide (PubChem CID 4131915) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is N-(oxolan-2-ylmethyl)propanamide.

Molecular Properties

Compound NameN-(oxolan-2-ylmethyl)propanamide
PubChem CID4131915
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC NameN-(oxolan-2-ylmethyl)propanamide
SMILESCCC(=O)NCC1CCCO1
InChIInChI=1S/C8H15NO2/c1-2-8(10)9-6-7-4-3-5-11-7/h7H,2-6H2,1H3,(H,9,10)
InChIKeySNLRYUGDUCPNDC-UHFFFAOYSA-N
XLogP0.69
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 50.69
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)propanamide?
The IUPAC name of N-(oxolan-2-ylmethyl)propanamide (CID 4131915) is N-(oxolan-2-ylmethyl)propanamide.
What is the SMILES notation for N-(oxolan-2-ylmethyl)propanamide?
The canonical SMILES for N-(oxolan-2-ylmethyl)propanamide is CCC(=O)NCC1CCCO1.
What is the InChIKey of N-(oxolan-2-ylmethyl)propanamide?
The InChIKey is SNLRYUGDUCPNDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2/c1-2-8(10)9-6-7-4-3-5-11-7/h7H,2-6H2,1H3,(H,9,10).
What are the key properties of N-(oxolan-2-ylmethyl)propanamide?
N-(oxolan-2-ylmethyl)propanamide has a molecular weight of 157.21 g/mol, XLogP of 0.69, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-2-ylmethyl)propanamide is sourced from PubChem (CID 4131915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).