N-(azetidin-2-yl)formamide

C4H8N2O — CID 87537785

IUPACN-(azetidin-2-yl)formamide
SMILESO=CNC1CCN1
InChIInChI=1S/C4H8N2O/c7-3-6-4-1-2-5-4/h3-5H,1-2H2,(H,6,7)
InChIKeyDODLMVJTROHRBK-UHFFFAOYSA-N
MW100.12 g/mol
LogP-0.95
Rot. Bonds2

About N-(azetidin-2-yl)formamide

N-(azetidin-2-yl)formamide (PubChem CID 87537785) has the molecular formula C4H8N2O and a molecular weight of 100.12 g/mol. Its IUPAC name is N-(azetidin-2-yl)formamide.

Molecular Properties

Compound NameN-(azetidin-2-yl)formamide
PubChem CID87537785
Molecular FormulaC4H8N2O
Molecular Weight100.12 g/mol
Exact Mass100.06
IUPAC NameN-(azetidin-2-yl)formamide
SMILESO=CNC1CCN1
InChIInChI=1S/C4H8N2O/c7-3-6-4-1-2-5-4/h3-5H,1-2H2,(H,6,7)
InChIKeyDODLMVJTROHRBK-UHFFFAOYSA-N
XLogP-0.95
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.12
LogP ≤ 5-0.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(2S)-pyrrolidin-2-yl]formamide
CID 91588342
N-(azacyclotridec-2-yl)formamide
CID 174886343
N-morpholin-3-ylformamide
CID 174848034
N-(1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinolin-1-yl)formamide
CID 141086856
ethane;N-piperidin-4-ylformamide
CID 142035291
N-(2-oxopiperidin-3-yl)formamide
CID 64992680
fluoromethane;N-piperidin-4-ylformamide
CID 144898161
N-[(4S)-4-propylpyrrolidin-2-yl]formamide
CID 174980163
N-ethylazetidin-2-amine
CID 90753898
N-(2,5-dihydro-1H-pyrrol-2-yl)formamide
CID 174646529
N-cyclohexylformamide;ethane
CID 143536975
N-cyclobutylformamide;methanol
CID 142523729

Frequently Asked Questions

What is the IUPAC name of N-(azetidin-2-yl)formamide?
The IUPAC name of N-(azetidin-2-yl)formamide (CID 87537785) is N-(azetidin-2-yl)formamide.
What is the SMILES notation for N-(azetidin-2-yl)formamide?
The canonical SMILES for N-(azetidin-2-yl)formamide is O=CNC1CCN1.
What is the InChIKey of N-(azetidin-2-yl)formamide?
The InChIKey is DODLMVJTROHRBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N2O/c7-3-6-4-1-2-5-4/h3-5H,1-2H2,(H,6,7).
What are the key properties of N-(azetidin-2-yl)formamide?
N-(azetidin-2-yl)formamide has a molecular weight of 100.12 g/mol, XLogP of -0.95, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(azetidin-2-yl)formamide is sourced from PubChem (CID 87537785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).