N-(4-amino-2-hydroxyphenyl)-N-prop-1-enylmethanimidamide

C10H13N3O — CID 123186154

IUPACN-(4-amino-2-hydroxyphenyl)-N-prop-1-enylmethanimidamide
SMILES[H]/N=C/N(C=CC)c1ccc(N)cc1O
InChIInChI=1S/C10H13N3O/c1-2-5-13(7-11)9-4-3-8(12)6-10(9)14/h2-7,11,14H,12H2,1H3/b5-2?,11-7+
InChIKeyCSVMSZKNKMUCIP-VYQCRJLJSA-N
MW191.23 g/mol
LogP1.92
Rot. Bonds3

About N-(4-amino-2-hydroxyphenyl)-N-prop-1-enylmethanimidamide

N-(4-amino-2-hydroxyphenyl)-N-prop-1-enylmethanimidamide (PubChem CID 123186154) has the molecular formula C10H13N3O and a molecular weight of 191.23 g/mol. Its IUPAC name is N-(4-amino-2-hydroxyphenyl)-N-prop-1-enylmethanimidamide.

Molecular Properties

Compound NameN-(4-amino-2-hydroxyphenyl)-N-prop-1-enylmethanimidamide
PubChem CID123186154
Molecular FormulaC10H13N3O
Molecular Weight191.23 g/mol
Exact Mass191.11
IUPAC NameN-(4-amino-2-hydroxyphenyl)-N-prop-1-enylmethanimidamide
SMILES[H]/N=C/N(C=CC)c1ccc(N)cc1O
InChIInChI=1S/C10H13N3O/c1-2-5-13(7-11)9-4-3-8(12)6-10(9)14/h2-7,11,14H,12H2,1H3/b5-2?,11-7+
InChIKeyCSVMSZKNKMUCIP-VYQCRJLJSA-N
XLogP1.92
TPSA73.34 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 51.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_K(2)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'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 N-(4-amino-2-hydroxyphenyl)-N-prop-1-enylmethanimidamide?
The IUPAC name of N-(4-amino-2-hydroxyphenyl)-N-prop-1-enylmethanimidamide (CID 123186154) is N-(4-amino-2-hydroxyphenyl)-N-prop-1-enylmethanimidamide.
What is the SMILES notation for N-(4-amino-2-hydroxyphenyl)-N-prop-1-enylmethanimidamide?
The canonical SMILES for N-(4-amino-2-hydroxyphenyl)-N-prop-1-enylmethanimidamide is [H]/N=C/N(C=CC)c1ccc(N)cc1O.
What is the InChIKey of N-(4-amino-2-hydroxyphenyl)-N-prop-1-enylmethanimidamide?
The InChIKey is CSVMSZKNKMUCIP-VYQCRJLJSA-N. The full InChI is InChI=1S/C10H13N3O/c1-2-5-13(7-11)9-4-3-8(12)6-10(9)14/h2-7,11,14H,12H2,1H3/b5-2?,11-7+.
What are the key properties of N-(4-amino-2-hydroxyphenyl)-N-prop-1-enylmethanimidamide?
N-(4-amino-2-hydroxyphenyl)-N-prop-1-enylmethanimidamide has a molecular weight of 191.23 g/mol, XLogP of 1.92, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2-hydroxyphenyl)-N-prop-1-enylmethanimidamide is sourced from PubChem (CID 123186154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).