3-(dihydroxymethyl)cyclobutane-1-carboximidamide

C6H12N2O2 — CID 19597540

IUPAC3-(dihydroxymethyl)cyclobutane-1-carboximidamide
SMILES[H]/N=C(\N)C1CC(C(O)O)C1
InChIInChI=1S/C6H12N2O2/c7-5(8)3-1-4(2-3)6(9)10/h3-4,6,9-10H,1-2H2,(H3,7,8)
InChIKeyNSLGDHUAPHUORJ-UHFFFAOYSA-N
MW144.17 g/mol
LogP-0.74
Rot. Bonds2

About 3-(dihydroxymethyl)cyclobutane-1-carboximidamide

3-(dihydroxymethyl)cyclobutane-1-carboximidamide (PubChem CID 19597540) has the molecular formula C6H12N2O2 and a molecular weight of 144.17 g/mol. Its IUPAC name is 3-(dihydroxymethyl)cyclobutane-1-carboximidamide.

Molecular Properties

Compound Name3-(dihydroxymethyl)cyclobutane-1-carboximidamide
PubChem CID19597540
Molecular FormulaC6H12N2O2
Molecular Weight144.17 g/mol
Exact Mass144.09
IUPAC Name3-(dihydroxymethyl)cyclobutane-1-carboximidamide
SMILES[H]/N=C(\N)C1CC(C(O)O)C1
InChIInChI=1S/C6H12N2O2/c7-5(8)3-1-4(2-3)6(9)10/h3-4,6,9-10H,1-2H2,(H3,7,8)
InChIKeyNSLGDHUAPHUORJ-UHFFFAOYSA-N
XLogP-0.74
TPSA90.33 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.17
LogP ≤ 5-0.74
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(dihydroxymethyl)cyclobutane-1-carboximidamide?
The IUPAC name of 3-(dihydroxymethyl)cyclobutane-1-carboximidamide (CID 19597540) is 3-(dihydroxymethyl)cyclobutane-1-carboximidamide.
What is the SMILES notation for 3-(dihydroxymethyl)cyclobutane-1-carboximidamide?
The canonical SMILES for 3-(dihydroxymethyl)cyclobutane-1-carboximidamide is [H]/N=C(\N)C1CC(C(O)O)C1.
What is the InChIKey of 3-(dihydroxymethyl)cyclobutane-1-carboximidamide?
The InChIKey is NSLGDHUAPHUORJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O2/c7-5(8)3-1-4(2-3)6(9)10/h3-4,6,9-10H,1-2H2,(H3,7,8).
What are the key properties of 3-(dihydroxymethyl)cyclobutane-1-carboximidamide?
3-(dihydroxymethyl)cyclobutane-1-carboximidamide has a molecular weight of 144.17 g/mol, XLogP of -0.74, 2 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dihydroxymethyl)cyclobutane-1-carboximidamide is sourced from PubChem (CID 19597540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).