3-(hydroxymethyl)benzenecarboximidamide

C8H10N2O — CID 43165100

IUPAC3-(hydroxymethyl)benzenecarboximidamide
SMILES[H]/N=C(\N)c1cccc(CO)c1
InChIInChI=1S/C8H10N2O/c9-8(10)7-3-1-2-6(4-7)5-11/h1-4,11H,5H2,(H3,9,10)
InChIKeyXCBDHJZHUUIPBA-UHFFFAOYSA-N
MW150.18 g/mol
LogP0.46
Rot. Bonds2

About 3-(hydroxymethyl)benzenecarboximidamide

3-(hydroxymethyl)benzenecarboximidamide (PubChem CID 43165100) has the molecular formula C8H10N2O and a molecular weight of 150.18 g/mol. Its IUPAC name is 3-(hydroxymethyl)benzenecarboximidamide.

Molecular Properties

Compound Name3-(hydroxymethyl)benzenecarboximidamide
PubChem CID43165100
Molecular FormulaC8H10N2O
Molecular Weight150.18 g/mol
Exact Mass150.08
IUPAC Name3-(hydroxymethyl)benzenecarboximidamide
SMILES[H]/N=C(\N)c1cccc(CO)c1
InChIInChI=1S/C8H10N2O/c9-8(10)7-3-1-2-6(4-7)5-11/h1-4,11H,5H2,(H3,9,10)
InChIKeyXCBDHJZHUUIPBA-UHFFFAOYSA-N
XLogP0.46
TPSA70.10 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.18
LogP ≤ 50.46
H-Bond Donors ≤ 53
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 3-(hydroxymethyl)benzenecarboximidamide?
The IUPAC name of 3-(hydroxymethyl)benzenecarboximidamide (CID 43165100) is 3-(hydroxymethyl)benzenecarboximidamide.
What is the SMILES notation for 3-(hydroxymethyl)benzenecarboximidamide?
The canonical SMILES for 3-(hydroxymethyl)benzenecarboximidamide is [H]/N=C(\N)c1cccc(CO)c1.
What is the InChIKey of 3-(hydroxymethyl)benzenecarboximidamide?
The InChIKey is XCBDHJZHUUIPBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O/c9-8(10)7-3-1-2-6(4-7)5-11/h1-4,11H,5H2,(H3,9,10).
What are the key properties of 3-(hydroxymethyl)benzenecarboximidamide?
3-(hydroxymethyl)benzenecarboximidamide has a molecular weight of 150.18 g/mol, XLogP of 0.46, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(hydroxymethyl)benzenecarboximidamide is sourced from PubChem (CID 43165100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).