N-(4-hydroxyoxolan-3-yl)formamide

C5H9NO3 — CID 127001792

IUPACN-(4-hydroxyoxolan-3-yl)formamide
SMILESO=CNC1COCC1O
InChIInChI=1S/C5H9NO3/c7-3-6-4-1-9-2-5(4)8/h3-5,8H,1-2H2,(H,6,7)
InChIKeyPCOMRDWSXOYTFK-UHFFFAOYSA-N
MW131.13 g/mol
LogP-1.51
Rot. Bonds2

About N-(4-hydroxyoxolan-3-yl)formamide

N-(4-hydroxyoxolan-3-yl)formamide (PubChem CID 127001792) has the molecular formula C5H9NO3 and a molecular weight of 131.13 g/mol. Its IUPAC name is N-(4-hydroxyoxolan-3-yl)formamide.

Molecular Properties

Compound NameN-(4-hydroxyoxolan-3-yl)formamide
PubChem CID127001792
Molecular FormulaC5H9NO3
Molecular Weight131.13 g/mol
Exact Mass131.06
IUPAC NameN-(4-hydroxyoxolan-3-yl)formamide
SMILESO=CNC1COCC1O
InChIInChI=1S/C5H9NO3/c7-3-6-4-1-9-2-5(4)8/h3-5,8H,1-2H2,(H,6,7)
InChIKeyPCOMRDWSXOYTFK-UHFFFAOYSA-N
XLogP-1.51
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.13
LogP ≤ 5-1.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxyoxolan-3-yl)formamide?
The IUPAC name of N-(4-hydroxyoxolan-3-yl)formamide (CID 127001792) is N-(4-hydroxyoxolan-3-yl)formamide.
What is the SMILES notation for N-(4-hydroxyoxolan-3-yl)formamide?
The canonical SMILES for N-(4-hydroxyoxolan-3-yl)formamide is O=CNC1COCC1O.
What is the InChIKey of N-(4-hydroxyoxolan-3-yl)formamide?
The InChIKey is PCOMRDWSXOYTFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO3/c7-3-6-4-1-9-2-5(4)8/h3-5,8H,1-2H2,(H,6,7).
What are the key properties of N-(4-hydroxyoxolan-3-yl)formamide?
N-(4-hydroxyoxolan-3-yl)formamide has a molecular weight of 131.13 g/mol, XLogP of -1.51, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxyoxolan-3-yl)formamide is sourced from PubChem (CID 127001792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).