(6,7-diaminonaphthalen-1-yl) 2-methylprop-2-enoate

C14H14N2O2 — CID 141212738

IUPAC(6,7-diaminonaphthalen-1-yl) 2-methylprop-2-enoate
SMILESC=C(C)C(=O)Oc1cccc2cc(N)c(N)cc12
InChIInChI=1S/C14H14N2O2/c1-8(2)14(17)18-13-5-3-4-9-6-11(15)12(16)7-10(9)13/h3-7H,1,15-16H2,2H3
InChIKeySGQRCRHBVAHKFS-UHFFFAOYSA-N
MW242.28 g/mol
LogP2.49
Rot. Bonds2

About (6,7-diaminonaphthalen-1-yl) 2-methylprop-2-enoate

(6,7-diaminonaphthalen-1-yl) 2-methylprop-2-enoate (PubChem CID 141212738) has the molecular formula C14H14N2O2 and a molecular weight of 242.28 g/mol. Its IUPAC name is (6,7-diaminonaphthalen-1-yl) 2-methylprop-2-enoate.

Molecular Properties

Compound Name(6,7-diaminonaphthalen-1-yl) 2-methylprop-2-enoate
PubChem CID141212738
Molecular FormulaC14H14N2O2
Molecular Weight242.28 g/mol
Exact Mass242.11
IUPAC Name(6,7-diaminonaphthalen-1-yl) 2-methylprop-2-enoate
SMILESC=C(C)C(=O)Oc1cccc2cc(N)c(N)cc12
InChIInChI=1S/C14H14N2O2/c1-8(2)14(17)18-13-5-3-4-9-6-11(15)12(16)7-10(9)13/h3-7H,1,15-16H2,2H3
InChIKeySGQRCRHBVAHKFS-UHFFFAOYSA-N
XLogP2.49
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

(7-hydroxynaphthalen-1-yl) 2-methylprop-2-enoate;yttrium
CID 59524574
ethane;naphthalen-1-yl 2-methylprop-2-enoate
CID 91365419
naphthalen-1-yl 2-methylprop-2-enoate;prop-2-enoic acid
CID 174897814
2-amino-3-(2-methylprop-2-enoyloxy)benzoic acid
CID 23083813
(9-anthracen-1-ylanthracen-1-yl) 2-methylprop-2-enoate
CID 155226956
(5,7-dihydroxynaphthalen-1-yl) 2-methylprop-2-enoate;bis(yttrium)
CID 59524605
(2-amino-5-methylphenyl) 2-methylprop-2-enoate
CID 174418945
[2-(2-aminobenzoyl)phenyl] 2-methylprop-2-enoate
CID 139968489
(4-acetyloxy-2-aminonaphthalen-1-yl) 2-methylprop-2-enoate
CID 163407001
[1-[2-(2-methylprop-2-enoyloxy)naphthalen-1-yl]naphthalen-2-yl] 2-methylprop-2-enoate
CID 58341857
(2-acetyloxynaphthalen-1-yl) 2-methylprop-2-enoate
CID 150370008
(3-hydroxy-2-iodophenyl) 2-methylprop-2-enoate
CID 162497593

Frequently Asked Questions

What is the IUPAC name of (6,7-diaminonaphthalen-1-yl) 2-methylprop-2-enoate?
The IUPAC name of (6,7-diaminonaphthalen-1-yl) 2-methylprop-2-enoate (CID 141212738) is (6,7-diaminonaphthalen-1-yl) 2-methylprop-2-enoate.
What is the SMILES notation for (6,7-diaminonaphthalen-1-yl) 2-methylprop-2-enoate?
The canonical SMILES for (6,7-diaminonaphthalen-1-yl) 2-methylprop-2-enoate is C=C(C)C(=O)Oc1cccc2cc(N)c(N)cc12.
What is the InChIKey of (6,7-diaminonaphthalen-1-yl) 2-methylprop-2-enoate?
The InChIKey is SGQRCRHBVAHKFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2/c1-8(2)14(17)18-13-5-3-4-9-6-11(15)12(16)7-10(9)13/h3-7H,1,15-16H2,2H3.
What are the key properties of (6,7-diaminonaphthalen-1-yl) 2-methylprop-2-enoate?
(6,7-diaminonaphthalen-1-yl) 2-methylprop-2-enoate has a molecular weight of 242.28 g/mol, XLogP of 2.49, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6,7-diaminonaphthalen-1-yl) 2-methylprop-2-enoate is sourced from PubChem (CID 141212738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).