N'-[3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]ethanimidamide

C7H14N2O3 — CID 123994140

IUPACN'-[3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]ethanimidamide
SMILESCC(N)=NC1OC(CO)CC1O
InChIInChI=1S/C7H14N2O3/c1-4(8)9-7-6(11)2-5(3-10)12-7/h5-7,10-11H,2-3H2,1H3,(H2,8,9)
InChIKeySHSNYTVLYGIVPA-UHFFFAOYSA-N
MW174.20 g/mol
LogP-1.17
Rot. Bonds2

About N'-[3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]ethanimidamide

N'-[3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]ethanimidamide (PubChem CID 123994140) has the molecular formula C7H14N2O3 and a molecular weight of 174.20 g/mol. Its IUPAC name is N'-[3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]ethanimidamide.

Molecular Properties

Compound NameN'-[3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]ethanimidamide
PubChem CID123994140
Molecular FormulaC7H14N2O3
Molecular Weight174.20 g/mol
Exact Mass174.10
IUPAC NameN'-[3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]ethanimidamide
SMILESCC(N)=NC1OC(CO)CC1O
InChIInChI=1S/C7H14N2O3/c1-4(8)9-7-6(11)2-5(3-10)12-7/h5-7,10-11H,2-3H2,1H3,(H2,8,9)
InChIKeySHSNYTVLYGIVPA-UHFFFAOYSA-N
XLogP-1.17
TPSA88.07 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 5-1.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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'-[3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]ethanimidamide?
The IUPAC name of N'-[3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]ethanimidamide (CID 123994140) is N'-[3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]ethanimidamide.
What is the SMILES notation for N'-[3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]ethanimidamide?
The canonical SMILES for N'-[3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]ethanimidamide is CC(N)=NC1OC(CO)CC1O.
What is the InChIKey of N'-[3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]ethanimidamide?
The InChIKey is SHSNYTVLYGIVPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O3/c1-4(8)9-7-6(11)2-5(3-10)12-7/h5-7,10-11H,2-3H2,1H3,(H2,8,9).
What are the key properties of N'-[3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]ethanimidamide?
N'-[3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]ethanimidamide has a molecular weight of 174.20 g/mol, XLogP of -1.17, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]ethanimidamide is sourced from PubChem (CID 123994140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).