N'-(4-methyloxolan-3-yl)ethanimidamide

C7H14N2O — CID 170275954

IUPACN'-(4-methyloxolan-3-yl)ethanimidamide
SMILESC/C(N)=N\C1COCC1C
InChIInChI=1S/C7H14N2O/c1-5-3-10-4-7(5)9-6(2)8/h5,7H,3-4H2,1-2H3,(H2,8,9)
InChIKeyXVBCNUVLVCXBLA-UHFFFAOYSA-N
MW142.20 g/mol
LogP0.40
Rot. Bonds1

About N'-(4-methyloxolan-3-yl)ethanimidamide

N'-(4-methyloxolan-3-yl)ethanimidamide (PubChem CID 170275954) has the molecular formula C7H14N2O and a molecular weight of 142.20 g/mol. Its IUPAC name is N'-(4-methyloxolan-3-yl)ethanimidamide.

Molecular Properties

Compound NameN'-(4-methyloxolan-3-yl)ethanimidamide
PubChem CID170275954
Molecular FormulaC7H14N2O
Molecular Weight142.20 g/mol
Exact Mass142.11
IUPAC NameN'-(4-methyloxolan-3-yl)ethanimidamide
SMILESC/C(N)=N\C1COCC1C
InChIInChI=1S/C7H14N2O/c1-5-3-10-4-7(5)9-6(2)8/h5,7H,3-4H2,1-2H3,(H2,8,9)
InChIKeyXVBCNUVLVCXBLA-UHFFFAOYSA-N
XLogP0.40
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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 N'-(4-methyloxolan-3-yl)ethanimidamide?
The IUPAC name of N'-(4-methyloxolan-3-yl)ethanimidamide (CID 170275954) is N'-(4-methyloxolan-3-yl)ethanimidamide.
What is the SMILES notation for N'-(4-methyloxolan-3-yl)ethanimidamide?
The canonical SMILES for N'-(4-methyloxolan-3-yl)ethanimidamide is C/C(N)=N\C1COCC1C.
What is the InChIKey of N'-(4-methyloxolan-3-yl)ethanimidamide?
The InChIKey is XVBCNUVLVCXBLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O/c1-5-3-10-4-7(5)9-6(2)8/h5,7H,3-4H2,1-2H3,(H2,8,9).
What are the key properties of N'-(4-methyloxolan-3-yl)ethanimidamide?
N'-(4-methyloxolan-3-yl)ethanimidamide has a molecular weight of 142.20 g/mol, XLogP of 0.40, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-methyloxolan-3-yl)ethanimidamide is sourced from PubChem (CID 170275954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).