N'-hydroxy-2,5-dimethyl-4-prop-2-enylbenzenecarboximidamide

C12H16N2O — CID 123623623

IUPACN'-hydroxy-2,5-dimethyl-4-prop-2-enylbenzenecarboximidamide
SMILESC=CCc1cc(C)c(C(N)=NO)cc1C
InChIInChI=1S/C12H16N2O/c1-4-5-10-6-9(3)11(7-8(10)2)12(13)14-15/h4,6-7,15H,1,5H2,2-3H3,(H2,13,14)
InChIKeyPLOPYWCRQSCJOH-UHFFFAOYSA-N
MW204.27 g/mol
LogP2.13
Rot. Bonds3

About N'-hydroxy-2,5-dimethyl-4-prop-2-enylbenzenecarboximidamide

N'-hydroxy-2,5-dimethyl-4-prop-2-enylbenzenecarboximidamide (PubChem CID 123623623) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is N'-hydroxy-2,5-dimethyl-4-prop-2-enylbenzenecarboximidamide.

Molecular Properties

Compound NameN'-hydroxy-2,5-dimethyl-4-prop-2-enylbenzenecarboximidamide
PubChem CID123623623
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC NameN'-hydroxy-2,5-dimethyl-4-prop-2-enylbenzenecarboximidamide
SMILESC=CCc1cc(C)c(C(N)=NO)cc1C
InChIInChI=1S/C12H16N2O/c1-4-5-10-6-9(3)11(7-8(10)2)12(13)14-15/h4,6-7,15H,1,5H2,2-3H3,(H2,13,14)
InChIKeyPLOPYWCRQSCJOH-UHFFFAOYSA-N
XLogP2.13
TPSA58.61 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-5-prop-2-enylbenzene-1,2-diol
CID 12635732
N',2-dihydroxy-3-prop-2-enylbenzenecarboximidamide
CID 165345619
2-amino-5-methyl-4-prop-2-enylphenol
CID 163979621
1-ethyl-2,5-dimethyl-4-prop-2-enylbenzene
CID 147152105
methyl 2-[2-chloro-4-(N'-hydroxycarbamimidoyl)-5-methylphenyl]acetate
CID 86683505
4-(ethylsulfanylmethyl)-N'-hydroxy-3-methylbenzenecarboximidamide
CID 114484067
N'-hydroxy-7-methyl-2,3-dihydro-1,4-benzodioxine-6-carboximidamide
CID 82492461
4-(4-hydroxy-2-methyl-5-prop-2-enylphenyl)-5-methyl-2-prop-2-enylphenol
CID 54433702
2-(4,5-dimethyl-2-prop-2-enylphenyl)ethanol
CID 158833372
1-(4-methyl-3-prop-2-enylphenyl)ethanone
CID 143718324
N',2-dihydroxy-5,6-diphenyl-3-prop-2-enylbenzenecarboximidamide
CID 136928051
N'-hydroxy-4-(4-propan-2-yloxy-3-prop-2-enylanilino)benzenecarboximidamide
CID 91600776

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2,5-dimethyl-4-prop-2-enylbenzenecarboximidamide?
The IUPAC name of N'-hydroxy-2,5-dimethyl-4-prop-2-enylbenzenecarboximidamide (CID 123623623) is N'-hydroxy-2,5-dimethyl-4-prop-2-enylbenzenecarboximidamide.
What is the SMILES notation for N'-hydroxy-2,5-dimethyl-4-prop-2-enylbenzenecarboximidamide?
The canonical SMILES for N'-hydroxy-2,5-dimethyl-4-prop-2-enylbenzenecarboximidamide is C=CCc1cc(C)c(C(N)=NO)cc1C.
What is the InChIKey of N'-hydroxy-2,5-dimethyl-4-prop-2-enylbenzenecarboximidamide?
The InChIKey is PLOPYWCRQSCJOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O/c1-4-5-10-6-9(3)11(7-8(10)2)12(13)14-15/h4,6-7,15H,1,5H2,2-3H3,(H2,13,14).
What are the key properties of N'-hydroxy-2,5-dimethyl-4-prop-2-enylbenzenecarboximidamide?
N'-hydroxy-2,5-dimethyl-4-prop-2-enylbenzenecarboximidamide has a molecular weight of 204.27 g/mol, XLogP of 2.13, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2,5-dimethyl-4-prop-2-enylbenzenecarboximidamide is sourced from PubChem (CID 123623623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).