acetic acid;2-naphthalen-1-yloxyguanidine

C13H15N3O3 — CID 174380066

IUPACacetic acid;2-naphthalen-1-yloxyguanidine
SMILESCC(=O)O.NC(N)=NOc1cccc2ccccc12
InChIInChI=1S/C11H11N3O.C2H4O2/c12-11(13)14-15-10-7-3-5-8-4-1-2-6-9(8)10;1-2(3)4/h1-7H,(H4,12,13,14);1H3,(H,3,4)
InChIKeySICNNOLNBZNGGH-UHFFFAOYSA-N
MW261.28 g/mol
LogP1.50
Rot. Bonds2

About acetic acid;2-naphthalen-1-yloxyguanidine

acetic acid;2-naphthalen-1-yloxyguanidine (PubChem CID 174380066) has the molecular formula C13H15N3O3 and a molecular weight of 261.28 g/mol. Its IUPAC name is acetic acid;2-naphthalen-1-yloxyguanidine.

Molecular Properties

Compound Nameacetic acid;2-naphthalen-1-yloxyguanidine
PubChem CID174380066
Molecular FormulaC13H15N3O3
Molecular Weight261.28 g/mol
Exact Mass261.11
IUPAC Nameacetic acid;2-naphthalen-1-yloxyguanidine
SMILESCC(=O)O.NC(N)=NOc1cccc2ccccc12
InChIInChI=1S/C11H11N3O.C2H4O2/c12-11(13)14-15-10-7-3-5-8-4-1-2-6-9(8)10;1-2(3)4/h1-7H,(H4,12,13,14);1H3,(H,3,4)
InChIKeySICNNOLNBZNGGH-UHFFFAOYSA-N
XLogP1.50
TPSA110.93 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 51.50
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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(E)-dinaphthalen-1-yloxydiazene
CID 67562548
2-naphthalen-1-yloxyethyl acetate
CID 23049663
acetic acid;perylene
CID 175230474
ethane;naphthalen-1-yl 2-methylprop-2-enoate
CID 91365419
naphthalen-1-yl (2R)-2-aminopropanoate
CID 18639263
acetic acid;chrysene
CID 175201446
acetic acid;2-naphthalen-1-ylacetic acid
CID 67744523
3-amino-2-naphthalen-1-yloxybenzamide
CID 115935620
naphthalen-1-yl 2-amino-2-methylpropanoate
CID 70178534
naphthalen-1-yl pentyl carbonate
CID 175011067
naphthalen-1-yl 2-methylprop-2-enoate;prop-2-enoic acid
CID 174897814
3-methyl-3-naphthalen-1-yloxybutanoic acid
CID 82085420

Frequently Asked Questions

What is the IUPAC name of acetic acid;2-naphthalen-1-yloxyguanidine?
The IUPAC name of acetic acid;2-naphthalen-1-yloxyguanidine (CID 174380066) is acetic acid;2-naphthalen-1-yloxyguanidine.
What is the SMILES notation for acetic acid;2-naphthalen-1-yloxyguanidine?
The canonical SMILES for acetic acid;2-naphthalen-1-yloxyguanidine is CC(=O)O.NC(N)=NOc1cccc2ccccc12.
What is the InChIKey of acetic acid;2-naphthalen-1-yloxyguanidine?
The InChIKey is SICNNOLNBZNGGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O.C2H4O2/c12-11(13)14-15-10-7-3-5-8-4-1-2-6-9(8)10;1-2(3)4/h1-7H,(H4,12,13,14);1H3,(H,3,4).
What are the key properties of acetic acid;2-naphthalen-1-yloxyguanidine?
acetic acid;2-naphthalen-1-yloxyguanidine has a molecular weight of 261.28 g/mol, XLogP of 1.50, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;2-naphthalen-1-yloxyguanidine is sourced from PubChem (CID 174380066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).