N',4-dihydroxy-6-methyl-5-methylidenecyclohexa-1,3-diene-1-carboximidamide

C9H12N2O2 — CID 174553009

IUPACN',4-dihydroxy-6-methyl-5-methylidenecyclohexa-1,3-diene-1-carboximidamide
SMILESC=C1C(O)=CC=C(C(N)=NO)C1C
InChIInChI=1S/C9H12N2O2/c1-5-6(2)8(12)4-3-7(5)9(10)11-13/h3-5,12-13H,2H2,1H3,(H2,10,11)
InChIKeyNBRNMDQDJZWKEX-UHFFFAOYSA-N
MW180.21 g/mol
LogP1.31
Rot. Bonds1

About N',4-dihydroxy-6-methyl-5-methylidenecyclohexa-1,3-diene-1-carboximidamide

N',4-dihydroxy-6-methyl-5-methylidenecyclohexa-1,3-diene-1-carboximidamide (PubChem CID 174553009) has the molecular formula C9H12N2O2 and a molecular weight of 180.21 g/mol. Its IUPAC name is N',4-dihydroxy-6-methyl-5-methylidenecyclohexa-1,3-diene-1-carboximidamide.

Molecular Properties

Compound NameN',4-dihydroxy-6-methyl-5-methylidenecyclohexa-1,3-diene-1-carboximidamide
PubChem CID174553009
Molecular FormulaC9H12N2O2
Molecular Weight180.21 g/mol
Exact Mass180.09
IUPAC NameN',4-dihydroxy-6-methyl-5-methylidenecyclohexa-1,3-diene-1-carboximidamide
SMILESC=C1C(O)=CC=C(C(N)=NO)C1C
InChIInChI=1S/C9H12N2O2/c1-5-6(2)8(12)4-3-7(5)9(10)11-13/h3-5,12-13H,2H2,1H3,(H2,10,11)
InChIKeyNBRNMDQDJZWKEX-UHFFFAOYSA-N
XLogP1.31
TPSA78.84 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 51.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N',4-dihydroxy-6-methyl-5-methylidenecyclohexa-1,3-diene-1-carboximidamide?
The IUPAC name of N',4-dihydroxy-6-methyl-5-methylidenecyclohexa-1,3-diene-1-carboximidamide (CID 174553009) is N',4-dihydroxy-6-methyl-5-methylidenecyclohexa-1,3-diene-1-carboximidamide.
What is the SMILES notation for N',4-dihydroxy-6-methyl-5-methylidenecyclohexa-1,3-diene-1-carboximidamide?
The canonical SMILES for N',4-dihydroxy-6-methyl-5-methylidenecyclohexa-1,3-diene-1-carboximidamide is C=C1C(O)=CC=C(C(N)=NO)C1C.
What is the InChIKey of N',4-dihydroxy-6-methyl-5-methylidenecyclohexa-1,3-diene-1-carboximidamide?
The InChIKey is NBRNMDQDJZWKEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2/c1-5-6(2)8(12)4-3-7(5)9(10)11-13/h3-5,12-13H,2H2,1H3,(H2,10,11).
What are the key properties of N',4-dihydroxy-6-methyl-5-methylidenecyclohexa-1,3-diene-1-carboximidamide?
N',4-dihydroxy-6-methyl-5-methylidenecyclohexa-1,3-diene-1-carboximidamide has a molecular weight of 180.21 g/mol, XLogP of 1.31, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N',4-dihydroxy-6-methyl-5-methylidenecyclohexa-1,3-diene-1-carboximidamide is sourced from PubChem (CID 174553009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).