ethyl naphthalene-1-carboximidate

C13H13NO — CID 46318432

IUPACethyl naphthalene-1-carboximidate
SMILES[H]/N=C(\OCC)c1cccc2ccccc12
InChIInChI=1S/C13H13NO/c1-2-15-13(14)12-9-5-7-10-6-3-4-8-11(10)12/h3-9,14H,2H2,1H3/b14-13-
InChIKeyCNMSNQSPVRKIFP-YPKPFQOOSA-N
MW199.25 g/mol
LogP3.20
Rot. Bonds2

About ethyl naphthalene-1-carboximidate

ethyl naphthalene-1-carboximidate (PubChem CID 46318432) has the molecular formula C13H13NO and a molecular weight of 199.25 g/mol. Its IUPAC name is ethyl naphthalene-1-carboximidate.

Molecular Properties

Compound Nameethyl naphthalene-1-carboximidate
PubChem CID46318432
Molecular FormulaC13H13NO
Molecular Weight199.25 g/mol
Exact Mass199.10
IUPAC Nameethyl naphthalene-1-carboximidate
SMILES[H]/N=C(\OCC)c1cccc2ccccc12
InChIInChI=1S/C13H13NO/c1-2-15-13(14)12-9-5-7-10-6-3-4-8-11(10)12/h3-9,14H,2H2,1H3/b14-13-
InChIKeyCNMSNQSPVRKIFP-YPKPFQOOSA-N
XLogP3.20
TPSA33.08 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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 ethyl naphthalene-1-carboximidate?
The IUPAC name of ethyl naphthalene-1-carboximidate (CID 46318432) is ethyl naphthalene-1-carboximidate.
What is the SMILES notation for ethyl naphthalene-1-carboximidate?
The canonical SMILES for ethyl naphthalene-1-carboximidate is [H]/N=C(\OCC)c1cccc2ccccc12.
What is the InChIKey of ethyl naphthalene-1-carboximidate?
The InChIKey is CNMSNQSPVRKIFP-YPKPFQOOSA-N. The full InChI is InChI=1S/C13H13NO/c1-2-15-13(14)12-9-5-7-10-6-3-4-8-11(10)12/h3-9,14H,2H2,1H3/b14-13-.
What are the key properties of ethyl naphthalene-1-carboximidate?
ethyl naphthalene-1-carboximidate has a molecular weight of 199.25 g/mol, XLogP of 3.20, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl naphthalene-1-carboximidate is sourced from PubChem (CID 46318432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).