2-[[bis(prop-2-enyl)amino]methyl]phenol;oxalic acid

C15H19NO5 — CID 163328185

IUPAC2-[[bis(prop-2-enyl)amino]methyl]phenol;oxalic acid
SMILESC=CCN(CC=C)Cc1ccccc1O.O=C(O)C(=O)O
InChIInChI=1S/C13H17NO.C2H2O4/c1-3-9-14(10-4-2)11-12-7-5-6-8-13(12)15;3-1(4)2(5)6/h3-8,15H,1-2,9-11H2;(H,3,4)(H,5,6)
InChIKeyOQPSBXUAWUOYDV-UHFFFAOYSA-N
MW293.32 g/mol
LogP1.72
Rot. Bonds6

About 2-[[bis(prop-2-enyl)amino]methyl]phenol;oxalic acid

2-[[bis(prop-2-enyl)amino]methyl]phenol;oxalic acid (PubChem CID 163328185) has the molecular formula C15H19NO5 and a molecular weight of 293.32 g/mol. Its IUPAC name is 2-[[bis(prop-2-enyl)amino]methyl]phenol;oxalic acid.

Molecular Properties

Compound Name2-[[bis(prop-2-enyl)amino]methyl]phenol;oxalic acid
PubChem CID163328185
Molecular FormulaC15H19NO5
Molecular Weight293.32 g/mol
Exact Mass293.13
IUPAC Name2-[[bis(prop-2-enyl)amino]methyl]phenol;oxalic acid
SMILESC=CCN(CC=C)Cc1ccccc1O.O=C(O)C(=O)O
InChIInChI=1S/C13H17NO.C2H2O4/c1-3-9-14(10-4-2)11-12-7-5-6-8-13(12)15;3-1(4)2(5)6/h3-8,15H,1-2,9-11H2;(H,3,4)(H,5,6)
InChIKeyOQPSBXUAWUOYDV-UHFFFAOYSA-N
XLogP1.72
TPSA98.07 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 51.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-[[benzyl(prop-2-enyl)amino]methyl]phenol
CID 11391135
2-(2-hydroxyphenyl)-N,N-bis(prop-2-enyl)acetamide
CID 71864379
2-[(2-hydroxyphenyl)methyl]phenol;bis(prop-2-enoic acid)
CID 159187448
2-[(2-methylphenyl)methyl-prop-2-enylamino]acetic acid
CID 39243977
2-[[benzyl-[2-(dimethylamino)ethyl]amino]methyl]phenol;oxalic acid
CID 126468036
3-[(2-chlorophenyl)methyl-prop-2-enylamino]propanoic acid
CID 82328005
2-methylprop-2-enoic acid;2-prop-2-enylphenol
CID 70155060
2-benzylphenol;prop-2-enoic acid
CID 69011009
[(2-hydroxyphenyl)methyl-sulfanylamino]-sulfanylcarbamic acid
CID 90758762
2-[[bis(prop-2-enyl)amino]methyl]naphthalen-1-ol
CID 10354914
4-[[bis(prop-2-enyl)amino]methyl]pyrazolo[1,5-a]pyridine-3-carboxylic acid
CID 82212435
6-[2-[5-carboxypentyl-[(2-hydroxyphenyl)methyl]amino]ethyl-[(2-hydroxyphenyl)methyl]amino]hexanoic acid
CID 145180691

Frequently Asked Questions

What is the IUPAC name of 2-[[bis(prop-2-enyl)amino]methyl]phenol;oxalic acid?
The IUPAC name of 2-[[bis(prop-2-enyl)amino]methyl]phenol;oxalic acid (CID 163328185) is 2-[[bis(prop-2-enyl)amino]methyl]phenol;oxalic acid.
What is the SMILES notation for 2-[[bis(prop-2-enyl)amino]methyl]phenol;oxalic acid?
The canonical SMILES for 2-[[bis(prop-2-enyl)amino]methyl]phenol;oxalic acid is C=CCN(CC=C)Cc1ccccc1O.O=C(O)C(=O)O.
What is the InChIKey of 2-[[bis(prop-2-enyl)amino]methyl]phenol;oxalic acid?
The InChIKey is OQPSBXUAWUOYDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO.C2H2O4/c1-3-9-14(10-4-2)11-12-7-5-6-8-13(12)15;3-1(4)2(5)6/h3-8,15H,1-2,9-11H2;(H,3,4)(H,5,6).
What are the key properties of 2-[[bis(prop-2-enyl)amino]methyl]phenol;oxalic acid?
2-[[bis(prop-2-enyl)amino]methyl]phenol;oxalic acid has a molecular weight of 293.32 g/mol, XLogP of 1.72, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[bis(prop-2-enyl)amino]methyl]phenol;oxalic acid is sourced from PubChem (CID 163328185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).