methylimino(oxo)methane;naphthalene

C14H14N2O2 — CID 161076109

IUPACmethylimino(oxo)methane;naphthalene
SMILESCN=C=O.CN=C=O.c1ccc2ccccc2c1
InChIInChI=1S/C10H8.2C2H3NO/c1-2-6-10-8-4-3-7-9(10)5-1;2*1-3-2-4/h1-8H;2*1H3
InChIKeyUFHJOALOSZSHCV-UHFFFAOYSA-N
MW242.28 g/mol
LogP2.74
Rot. Bonds

About methylimino(oxo)methane;naphthalene

methylimino(oxo)methane;naphthalene (PubChem CID 161076109) has the molecular formula C14H14N2O2 and a molecular weight of 242.28 g/mol. Its IUPAC name is methylimino(oxo)methane;naphthalene.

Molecular Properties

Compound Namemethylimino(oxo)methane;naphthalene
PubChem CID161076109
Molecular FormulaC14H14N2O2
Molecular Weight242.28 g/mol
Exact Mass242.11
IUPAC Namemethylimino(oxo)methane;naphthalene
SMILESCN=C=O.CN=C=O.c1ccc2ccccc2c1
InChIInChI=1S/C10H8.2C2H3NO/c1-2-6-10-8-4-3-7-9(10)5-1;2*1-3-2-4/h1-8H;2*1H3
InChIKeyUFHJOALOSZSHCV-UHFFFAOYSA-N
XLogP2.74
TPSA58.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isocyanate', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methylimino(oxo)methane;naphthalene?
The IUPAC name of methylimino(oxo)methane;naphthalene (CID 161076109) is methylimino(oxo)methane;naphthalene.
What is the SMILES notation for methylimino(oxo)methane;naphthalene?
The canonical SMILES for methylimino(oxo)methane;naphthalene is CN=C=O.CN=C=O.c1ccc2ccccc2c1.
What is the InChIKey of methylimino(oxo)methane;naphthalene?
The InChIKey is UFHJOALOSZSHCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8.2C2H3NO/c1-2-6-10-8-4-3-7-9(10)5-1;2*1-3-2-4/h1-8H;2*1H3.
What are the key properties of methylimino(oxo)methane;naphthalene?
methylimino(oxo)methane;naphthalene has a molecular weight of 242.28 g/mol, XLogP of 2.74, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methylimino(oxo)methane;naphthalene is sourced from PubChem (CID 161076109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).