methylimino(oxo)methane;propane;styrene

C13H19NO — CID 90753289

IUPACmethylimino(oxo)methane;propane;styrene
SMILESC=Cc1ccccc1.CCC.CN=C=O
InChIInChI=1S/C8H8.C3H8.C2H3NO/c1-2-8-6-4-3-5-7-8;1-3-2;1-3-2-4/h2-7H,1H2;3H2,1-2H3;1H3
InChIKeyDXUVZWNDDZRQLX-UHFFFAOYSA-N
MW205.30 g/mol
LogP3.70
Rot. Bonds1

About methylimino(oxo)methane;propane;styrene

methylimino(oxo)methane;propane;styrene (PubChem CID 90753289) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is methylimino(oxo)methane;propane;styrene.

Molecular Properties

Compound Namemethylimino(oxo)methane;propane;styrene
PubChem CID90753289
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Namemethylimino(oxo)methane;propane;styrene
SMILESC=Cc1ccccc1.CCC.CN=C=O
InChIInChI=1S/C8H8.C3H8.C2H3NO/c1-2-8-6-4-3-5-7-8;1-3-2;1-3-2-4/h2-7H,1H2;3H2,1-2H3;1H3
InChIKeyDXUVZWNDDZRQLX-UHFFFAOYSA-N
XLogP3.70
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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;propane;styrene?
The IUPAC name of methylimino(oxo)methane;propane;styrene (CID 90753289) is methylimino(oxo)methane;propane;styrene.
What is the SMILES notation for methylimino(oxo)methane;propane;styrene?
The canonical SMILES for methylimino(oxo)methane;propane;styrene is C=Cc1ccccc1.CCC.CN=C=O.
What is the InChIKey of methylimino(oxo)methane;propane;styrene?
The InChIKey is DXUVZWNDDZRQLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8.C3H8.C2H3NO/c1-2-8-6-4-3-5-7-8;1-3-2;1-3-2-4/h2-7H,1H2;3H2,1-2H3;1H3.
What are the key properties of methylimino(oxo)methane;propane;styrene?
methylimino(oxo)methane;propane;styrene has a molecular weight of 205.30 g/mol, XLogP of 3.70, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methylimino(oxo)methane;propane;styrene is sourced from PubChem (CID 90753289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).