(2,3,4,5,6-pentaaminophenyl) 2-methylprop-2-enoate

C10H15N5O2 — CID 168968326

IUPAC(2,3,4,5,6-pentaaminophenyl) 2-methylprop-2-enoate
SMILESC=C(C)C(=O)Oc1c(N)c(N)c(N)c(N)c1N
InChIInChI=1S/C10H15N5O2/c1-3(2)10(16)17-9-7(14)5(12)4(11)6(13)8(9)15/h1,11-15H2,2H3
InChIKeyGODFOVPUCXSUAW-UHFFFAOYSA-N
MW237.26 g/mol
LogP0.08
Rot. Bonds2

About (2,3,4,5,6-pentaaminophenyl) 2-methylprop-2-enoate

(2,3,4,5,6-pentaaminophenyl) 2-methylprop-2-enoate (PubChem CID 168968326) has the molecular formula C10H15N5O2 and a molecular weight of 237.26 g/mol. Its IUPAC name is (2,3,4,5,6-pentaaminophenyl) 2-methylprop-2-enoate.

Molecular Properties

Compound Name(2,3,4,5,6-pentaaminophenyl) 2-methylprop-2-enoate
PubChem CID168968326
Molecular FormulaC10H15N5O2
Molecular Weight237.26 g/mol
Exact Mass237.12
IUPAC Name(2,3,4,5,6-pentaaminophenyl) 2-methylprop-2-enoate
SMILESC=C(C)C(=O)Oc1c(N)c(N)c(N)c(N)c1N
InChIInChI=1S/C10H15N5O2/c1-3(2)10(16)17-9-7(14)5(12)4(11)6(13)8(9)15/h1,11-15H2,2H3
InChIKeyGODFOVPUCXSUAW-UHFFFAOYSA-N
XLogP0.08
TPSA156.40 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 50.08
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

[3,6-dimethyl-2-(2-methylprop-2-enoyloxy)phenyl] 2-methylprop-2-enoate
CID 140889355
(2,3,5,6-tetrafluoro-4-methylphenyl) 2-methylprop-2-enoate
CID 89308664
methyl 3,4-diamino-2-(2-methylprop-2-enoyloxy)benzoate
CID 174584414
[2,6-bis(methylamino)phenyl] 2-methylprop-2-enoate
CID 134554194
2-amino-3-(2-methylprop-2-enoyloxy)benzoic acid
CID 23083813
propyl 3,4-diamino-2-(2-methylprop-2-enoyloxy)benzoate
CID 174584657
(4-acetyloxy-2-aminonaphthalen-1-yl) 2-methylprop-2-enoate
CID 163407001
(2,6-dimethylphenyl) 2-methylprop-2-enoate;prop-2-enamide
CID 162138067
(2-amino-5-methylphenyl) 2-methylprop-2-enoate
CID 174418945
(6,7-diaminonaphthalen-1-yl) 2-methylprop-2-enoate
CID 141212738
[2-[1,2,2-tris[2-(2-methylprop-2-enoyloxy)phenyl]ethenyl]phenyl] 2-methylprop-2-enoate
CID 162511991
2-methylprop-1-ene;2-methylprop-2-enoyl 2-methylprop-2-enoate
CID 170331800

Frequently Asked Questions

What is the IUPAC name of (2,3,4,5,6-pentaaminophenyl) 2-methylprop-2-enoate?
The IUPAC name of (2,3,4,5,6-pentaaminophenyl) 2-methylprop-2-enoate (CID 168968326) is (2,3,4,5,6-pentaaminophenyl) 2-methylprop-2-enoate.
What is the SMILES notation for (2,3,4,5,6-pentaaminophenyl) 2-methylprop-2-enoate?
The canonical SMILES for (2,3,4,5,6-pentaaminophenyl) 2-methylprop-2-enoate is C=C(C)C(=O)Oc1c(N)c(N)c(N)c(N)c1N.
What is the InChIKey of (2,3,4,5,6-pentaaminophenyl) 2-methylprop-2-enoate?
The InChIKey is GODFOVPUCXSUAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5O2/c1-3(2)10(16)17-9-7(14)5(12)4(11)6(13)8(9)15/h1,11-15H2,2H3.
What are the key properties of (2,3,4,5,6-pentaaminophenyl) 2-methylprop-2-enoate?
(2,3,4,5,6-pentaaminophenyl) 2-methylprop-2-enoate has a molecular weight of 237.26 g/mol, XLogP of 0.08, 2 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3,4,5,6-pentaaminophenyl) 2-methylprop-2-enoate is sourced from PubChem (CID 168968326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).