N',2-dihydroxy-3-prop-2-enylbenzenecarboximidamide

C10H12N2O2 — CID 165345619

IUPACN',2-dihydroxy-3-prop-2-enylbenzenecarboximidamide
SMILESC=CCc1cccc(/C(N)=N/O)c1O
InChIInChI=1S/C10H12N2O2/c1-2-4-7-5-3-6-8(9(7)13)10(11)12-14/h2-3,5-6,13-14H,1,4H2,(H2,11,12)
InChIKeyXXVFINRWDPEOSZ-UHFFFAOYSA-N
MW192.22 g/mol
LogP1.22
Rot. Bonds3

About N',2-dihydroxy-3-prop-2-enylbenzenecarboximidamide

N',2-dihydroxy-3-prop-2-enylbenzenecarboximidamide (PubChem CID 165345619) has the molecular formula C10H12N2O2 and a molecular weight of 192.22 g/mol. Its IUPAC name is N',2-dihydroxy-3-prop-2-enylbenzenecarboximidamide.

Molecular Properties

Compound NameN',2-dihydroxy-3-prop-2-enylbenzenecarboximidamide
PubChem CID165345619
Molecular FormulaC10H12N2O2
Molecular Weight192.22 g/mol
Exact Mass192.09
IUPAC NameN',2-dihydroxy-3-prop-2-enylbenzenecarboximidamide
SMILESC=CCc1cccc(/C(N)=N/O)c1O
InChIInChI=1S/C10H12N2O2/c1-2-4-7-5-3-6-8(9(7)13)10(11)12-14/h2-3,5-6,13-14H,1,4H2,(H2,11,12)
InChIKeyXXVFINRWDPEOSZ-UHFFFAOYSA-N
XLogP1.22
TPSA78.84 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 51.22
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': '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

N'-hydroxy-2,5-dimethyl-4-prop-2-enylbenzenecarboximidamide
CID 123623623
ethyl 2-hydroxy-3-prop-2-enylbenzoate
CID 71331435
2-[(Z)-[(Z)-(2-hydroxy-3-prop-2-enylphenyl)methylidenehydrazinylidene]methyl]-6-prop-2-enylphenol
CID 136912023
2-[[(2-hydroxy-3-prop-2-enylphenyl)methylidenehydrazinylidene]methyl]-6-prop-2-enylphenol
CID 2279280
2-(aminomethyl)-N'-hydroxybenzenecarboximidamide
CID 22358532
N',2-dihydroxy-5,6-diphenyl-3-prop-2-enylbenzenecarboximidamide
CID 136928051
N',2,3,4-tetrahydroxybenzenecarboximidamide
CID 137272407
2-amino-1-(2-prop-2-enylphenyl)ethanone
CID 69248800
N',2-dihydroxybenzenecarboximidamide
CID 4227476
2-[2,6-bis(prop-2-enyl)phenyl]-1,3-bis(prop-2-enyl)benzene
CID 173186666
N'-hydroxy-2-(2-hydroxyethyl)benzenecarboximidamide
CID 142791611
2,3-bis(prop-2-enyl)benzoyl chloride
CID 87350245

Frequently Asked Questions

What is the IUPAC name of N',2-dihydroxy-3-prop-2-enylbenzenecarboximidamide?
The IUPAC name of N',2-dihydroxy-3-prop-2-enylbenzenecarboximidamide (CID 165345619) is N',2-dihydroxy-3-prop-2-enylbenzenecarboximidamide.
What is the SMILES notation for N',2-dihydroxy-3-prop-2-enylbenzenecarboximidamide?
The canonical SMILES for N',2-dihydroxy-3-prop-2-enylbenzenecarboximidamide is C=CCc1cccc(/C(N)=N/O)c1O.
What is the InChIKey of N',2-dihydroxy-3-prop-2-enylbenzenecarboximidamide?
The InChIKey is XXVFINRWDPEOSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O2/c1-2-4-7-5-3-6-8(9(7)13)10(11)12-14/h2-3,5-6,13-14H,1,4H2,(H2,11,12).
What are the key properties of N',2-dihydroxy-3-prop-2-enylbenzenecarboximidamide?
N',2-dihydroxy-3-prop-2-enylbenzenecarboximidamide has a molecular weight of 192.22 g/mol, XLogP of 1.22, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N',2-dihydroxy-3-prop-2-enylbenzenecarboximidamide is sourced from PubChem (CID 165345619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).