2-methylideneazetidine-1-carboximidamide

C5H9N3 — CID 118492858

IUPAC2-methylideneazetidine-1-carboximidamide
SMILES[H]/N=C(\N)N1CCC1=C
InChIInChI=1S/C5H9N3/c1-4-2-3-8(4)5(6)7/h1-3H2,(H3,6,7)
InChIKeyNICLEBDMIUCCGN-UHFFFAOYSA-N
MW111.15 g/mol
LogP0.10
Rot. Bonds

About 2-methylideneazetidine-1-carboximidamide

2-methylideneazetidine-1-carboximidamide (PubChem CID 118492858) has the molecular formula C5H9N3 and a molecular weight of 111.15 g/mol. Its IUPAC name is 2-methylideneazetidine-1-carboximidamide.

Molecular Properties

Compound Name2-methylideneazetidine-1-carboximidamide
PubChem CID118492858
Molecular FormulaC5H9N3
Molecular Weight111.15 g/mol
Exact Mass111.08
IUPAC Name2-methylideneazetidine-1-carboximidamide
SMILES[H]/N=C(\N)N1CCC1=C
InChIInChI=1S/C5H9N3/c1-4-2-3-8(4)5(6)7/h1-3H2,(H3,6,7)
InChIKeyNICLEBDMIUCCGN-UHFFFAOYSA-N
XLogP0.10
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.15
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-oxoazetidine-1-carboximidamide
CID 118484842
4-oxopiperidine-1-carboximidamide
CID 19089226
4-methyl-2,3-dihydroquinoxaline-1-carboximidamide
CID 63776820
CID 59630137
CID 59630137
3-imino-2-methylpiperidine-1-carboximidamide;hydrochloride
CID 175361652
5-hydroxy-3,4-dihydro-1H-isoquinoline-2-carboximidamide
CID 15720676
3-oxopiperazine-1-carboximidamide;hydrochloride
CID 135397176
5-methoxy-3,4-dihydropyrazole-2-carboximidamide
CID 142223895
oxaziridine-2-carboximidamide
CID 87822276
4-phenyl-3,5-dihydro-2H-1,4-benzodiazepine-1-carboximidamide
CID 54507850
2-oxo-1,5-diazaspiro[2.3]hexane-5-carboximidamide
CID 156544662
oxaziridine-2-carboximidamide;hydrochloride
CID 87822275

Frequently Asked Questions

What is the IUPAC name of 2-methylideneazetidine-1-carboximidamide?
The IUPAC name of 2-methylideneazetidine-1-carboximidamide (CID 118492858) is 2-methylideneazetidine-1-carboximidamide.
What is the SMILES notation for 2-methylideneazetidine-1-carboximidamide?
The canonical SMILES for 2-methylideneazetidine-1-carboximidamide is [H]/N=C(\N)N1CCC1=C.
What is the InChIKey of 2-methylideneazetidine-1-carboximidamide?
The InChIKey is NICLEBDMIUCCGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N3/c1-4-2-3-8(4)5(6)7/h1-3H2,(H3,6,7).
What are the key properties of 2-methylideneazetidine-1-carboximidamide?
2-methylideneazetidine-1-carboximidamide has a molecular weight of 111.15 g/mol, XLogP of 0.10, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylideneazetidine-1-carboximidamide is sourced from PubChem (CID 118492858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).