N-[(3-hydroxyoxolan-3-yl)methyl]cyclobutanecarboxamide

C10H17NO3 — CID 103849514

IUPACN-[(3-hydroxyoxolan-3-yl)methyl]cyclobutanecarboxamide
SMILESO=C(NCC1(O)CCOC1)C1CCC1
InChIInChI=1S/C10H17NO3/c12-9(8-2-1-3-8)11-6-10(13)4-5-14-7-10/h8,13H,1-7H2,(H,11,12)
InChIKeyVVFRMVHUVQGNLI-UHFFFAOYSA-N
MW199.25 g/mol
LogP0.05
Rot. Bonds3

About N-[(3-hydroxyoxolan-3-yl)methyl]cyclobutanecarboxamide

N-[(3-hydroxyoxolan-3-yl)methyl]cyclobutanecarboxamide (PubChem CID 103849514) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is N-[(3-hydroxyoxolan-3-yl)methyl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[(3-hydroxyoxolan-3-yl)methyl]cyclobutanecarboxamide
PubChem CID103849514
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC NameN-[(3-hydroxyoxolan-3-yl)methyl]cyclobutanecarboxamide
SMILESO=C(NCC1(O)CCOC1)C1CCC1
InChIInChI=1S/C10H17NO3/c12-9(8-2-1-3-8)11-6-10(13)4-5-14-7-10/h8,13H,1-7H2,(H,11,12)
InChIKeyVVFRMVHUVQGNLI-UHFFFAOYSA-N
XLogP0.05
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(3-hydroxyoxolan-3-yl)methyl]cyclobutanecarboxamide?
The IUPAC name of N-[(3-hydroxyoxolan-3-yl)methyl]cyclobutanecarboxamide (CID 103849514) is N-[(3-hydroxyoxolan-3-yl)methyl]cyclobutanecarboxamide.
What is the SMILES notation for N-[(3-hydroxyoxolan-3-yl)methyl]cyclobutanecarboxamide?
The canonical SMILES for N-[(3-hydroxyoxolan-3-yl)methyl]cyclobutanecarboxamide is O=C(NCC1(O)CCOC1)C1CCC1.
What is the InChIKey of N-[(3-hydroxyoxolan-3-yl)methyl]cyclobutanecarboxamide?
The InChIKey is VVFRMVHUVQGNLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO3/c12-9(8-2-1-3-8)11-6-10(13)4-5-14-7-10/h8,13H,1-7H2,(H,11,12).
What are the key properties of N-[(3-hydroxyoxolan-3-yl)methyl]cyclobutanecarboxamide?
N-[(3-hydroxyoxolan-3-yl)methyl]cyclobutanecarboxamide has a molecular weight of 199.25 g/mol, XLogP of 0.05, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-hydroxyoxolan-3-yl)methyl]cyclobutanecarboxamide is sourced from PubChem (CID 103849514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).