N-(2-methyloxiran-2-yl)formamide

C4H7NO2 — CID 174968338

IUPACN-(2-methyloxiran-2-yl)formamide
SMILESCC1(NC=O)CO1
InChIInChI=1S/C4H7NO2/c1-4(2-7-4)5-3-6/h3H,2H2,1H3,(H,5,6)
InChIKeyJRIQXMVCANSDSS-UHFFFAOYSA-N
MW101.10 g/mol
LogP-0.52
Rot. Bonds2

About N-(2-methyloxiran-2-yl)formamide

N-(2-methyloxiran-2-yl)formamide (PubChem CID 174968338) has the molecular formula C4H7NO2 and a molecular weight of 101.10 g/mol. Its IUPAC name is N-(2-methyloxiran-2-yl)formamide.

Molecular Properties

Compound NameN-(2-methyloxiran-2-yl)formamide
PubChem CID174968338
Molecular FormulaC4H7NO2
Molecular Weight101.10 g/mol
Exact Mass101.05
IUPAC NameN-(2-methyloxiran-2-yl)formamide
SMILESCC1(NC=O)CO1
InChIInChI=1S/C4H7NO2/c1-4(2-7-4)5-3-6/h3H,2H2,1H3,(H,5,6)
InChIKeyJRIQXMVCANSDSS-UHFFFAOYSA-N
XLogP-0.52
TPSA41.63 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500101.10
LogP ≤ 5-0.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2,2,5-trimethyl-1,3-dioxan-5-yl)formamide
CID 71350145
N-(1-methylcyclobutyl)formamide
CID 54210121
N-(1,3,3-trimethylcyclobutyl)formamide
CID 170194566
N-(4-methyl-1-bicyclo[2.2.2]octanyl)formamide
CID 13082870
2-(2-methyloxiran-2-yl)acetaldehyde
CID 14691612
N-(2-formamido-2-methylcyclopropyl)formamide
CID 174912967
N-[1-(trifluoromethyl)-2-oxabicyclo[2.2.1]heptan-4-yl]formamide
CID 177138924
N-(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)formamide
CID 71372379
N-(2-methyloxiran-2-yl)octadecanamide
CID 141168952
3-methyloxetane-3-carbaldehyde
CID 18962468
2,2-dimethyl-1,3-dioxolane;formic acid
CID 142542540
N-(3-cyanooxolan-3-yl)formamide
CID 164551035

Frequently Asked Questions

What is the IUPAC name of N-(2-methyloxiran-2-yl)formamide?
The IUPAC name of N-(2-methyloxiran-2-yl)formamide (CID 174968338) is N-(2-methyloxiran-2-yl)formamide.
What is the SMILES notation for N-(2-methyloxiran-2-yl)formamide?
The canonical SMILES for N-(2-methyloxiran-2-yl)formamide is CC1(NC=O)CO1.
What is the InChIKey of N-(2-methyloxiran-2-yl)formamide?
The InChIKey is JRIQXMVCANSDSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7NO2/c1-4(2-7-4)5-3-6/h3H,2H2,1H3,(H,5,6).
What are the key properties of N-(2-methyloxiran-2-yl)formamide?
N-(2-methyloxiran-2-yl)formamide has a molecular weight of 101.10 g/mol, XLogP of -0.52, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyloxiran-2-yl)formamide is sourced from PubChem (CID 174968338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).