benzene-1,2-diol;N-benzylformamide

C14H15NO3 — CID 174601153

IUPACbenzene-1,2-diol;N-benzylformamide
SMILESO=CNCc1ccccc1.Oc1ccccc1O
InChIInChI=1S/C8H9NO.C6H6O2/c10-7-9-6-8-4-2-1-3-5-8;7-5-3-1-2-4-6(5)8/h1-5,7H,6H2,(H,9,10);1-4,7-8H
InChIKeyIOTZQFKJHKGHAK-UHFFFAOYSA-N
MW245.28 g/mol
LogP2.03
Rot. Bonds3

About benzene-1,2-diol;N-benzylformamide

benzene-1,2-diol;N-benzylformamide (PubChem CID 174601153) has the molecular formula C14H15NO3 and a molecular weight of 245.28 g/mol. Its IUPAC name is benzene-1,2-diol;N-benzylformamide.

Molecular Properties

Compound Namebenzene-1,2-diol;N-benzylformamide
PubChem CID174601153
Molecular FormulaC14H15NO3
Molecular Weight245.28 g/mol
Exact Mass245.11
IUPAC Namebenzene-1,2-diol;N-benzylformamide
SMILESO=CNCc1ccccc1.Oc1ccccc1O
InChIInChI=1S/C8H9NO.C6H6O2/c10-7-9-6-8-4-2-1-3-5-8;7-5-3-1-2-4-6(5)8/h1-5,7H,6H2,(H,9,10);1-4,7-8H
InChIKeyIOTZQFKJHKGHAK-UHFFFAOYSA-N
XLogP2.03
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 52.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

N-benzylformamide
CID 139060556
N-[(benzylamino)methyl]formamide
CID 12511023
N-[(4-phenylphenyl)methyl]formamide
CID 54112237
N-[[4-(hydroxymethyl)phenyl]methyl]formamide
CID 58613645
N-benzylformamide;quinoline
CID 174801934
N-[(Z)-1-(benzylamino)-3-oxoprop-1-en-2-yl]formamide
CID 134890742
N-[[3-(4-hydroxyphenyl)phenyl]methyl]formamide
CID 144526054
N-[[3-[[benzyl(methyl)amino]methyl]phenyl]methyl]formamide
CID 53231447
2-[(benzylamino)methyl]phenol chloride
CID 53350489
methane;N-(2-phenylethyl)formamide
CID 143644399
N-[[4-(aminomethyl)phenyl]methyl]formamide;hydrochloride
CID 141415760
3,4-dihydroxybenzaldehyde;N-methyl-1-phenylmethanamine
CID 175403126

Frequently Asked Questions

What is the IUPAC name of benzene-1,2-diol;N-benzylformamide?
The IUPAC name of benzene-1,2-diol;N-benzylformamide (CID 174601153) is benzene-1,2-diol;N-benzylformamide.
What is the SMILES notation for benzene-1,2-diol;N-benzylformamide?
The canonical SMILES for benzene-1,2-diol;N-benzylformamide is O=CNCc1ccccc1.Oc1ccccc1O.
What is the InChIKey of benzene-1,2-diol;N-benzylformamide?
The InChIKey is IOTZQFKJHKGHAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO.C6H6O2/c10-7-9-6-8-4-2-1-3-5-8;7-5-3-1-2-4-6(5)8/h1-5,7H,6H2,(H,9,10);1-4,7-8H.
What are the key properties of benzene-1,2-diol;N-benzylformamide?
benzene-1,2-diol;N-benzylformamide has a molecular weight of 245.28 g/mol, XLogP of 2.03, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzene-1,2-diol;N-benzylformamide is sourced from PubChem (CID 174601153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).