methylimino(oxo)methane;prop-1-en-2-ylbenzene

C11H13NO — CID 157367451

IUPACmethylimino(oxo)methane;prop-1-en-2-ylbenzene
SMILESC=C(C)c1ccccc1.CN=C=O
InChIInChI=1S/C9H10.C2H3NO/c1-8(2)9-6-4-3-5-7-9;1-3-2-4/h3-7H,1H2,2H3;1H3
InChIKeyBJIXWCDUJSMGGU-UHFFFAOYSA-N
MW175.23 g/mol
LogP2.67
Rot. Bonds1

About methylimino(oxo)methane;prop-1-en-2-ylbenzene

methylimino(oxo)methane;prop-1-en-2-ylbenzene (PubChem CID 157367451) has the molecular formula C11H13NO and a molecular weight of 175.23 g/mol. Its IUPAC name is methylimino(oxo)methane;prop-1-en-2-ylbenzene.

Molecular Properties

Compound Namemethylimino(oxo)methane;prop-1-en-2-ylbenzene
PubChem CID157367451
Molecular FormulaC11H13NO
Molecular Weight175.23 g/mol
Exact Mass175.10
IUPAC Namemethylimino(oxo)methane;prop-1-en-2-ylbenzene
SMILESC=C(C)c1ccccc1.CN=C=O
InChIInChI=1S/C9H10.C2H3NO/c1-8(2)9-6-4-3-5-7-9;1-3-2-4/h3-7H,1H2,2H3;1H3
InChIKeyBJIXWCDUJSMGGU-UHFFFAOYSA-N
XLogP2.67
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 52.67
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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Related Compounds

ethane;tris(prop-1-en-2-ylbenzene)
CID 161299444
prop-1-en-2-ylbenzene;silane
CID 174724970
ethane;methoxymethane;prop-1-en-2-ylbenzene
CID 160714954
dilithium;hydride;tetrakis(prop-1-en-2-ylbenzene)
CID 173210084
methylimino(oxo)methane;naphthalene
CID 161076109
methane;propane;prop-1-en-2-ylbenzene
CID 145329923
ethane-1,2-diol;prop-1-en-2-ylbenzene
CID 68647860
prop-1-en-2-ylbenzene;1,1,2,2-tetrafluoroethene
CID 161134762
ethenamine;prop-1-en-2-ylbenzene
CID 172805831
bis(prop-1-en-2-ylbenzene);styrene
CID 157311042
calcium;(Z)-but-2-enedioate;prop-1-en-2-ylbenzene
CID 174823812
lithium;butane;prop-1-en-2-ylbenzene
CID 173314205

Frequently Asked Questions

What is the IUPAC name of methylimino(oxo)methane;prop-1-en-2-ylbenzene?
The IUPAC name of methylimino(oxo)methane;prop-1-en-2-ylbenzene (CID 157367451) is methylimino(oxo)methane;prop-1-en-2-ylbenzene.
What is the SMILES notation for methylimino(oxo)methane;prop-1-en-2-ylbenzene?
The canonical SMILES for methylimino(oxo)methane;prop-1-en-2-ylbenzene is C=C(C)c1ccccc1.CN=C=O.
What is the InChIKey of methylimino(oxo)methane;prop-1-en-2-ylbenzene?
The InChIKey is BJIXWCDUJSMGGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10.C2H3NO/c1-8(2)9-6-4-3-5-7-9;1-3-2-4/h3-7H,1H2,2H3;1H3.
What are the key properties of methylimino(oxo)methane;prop-1-en-2-ylbenzene?
methylimino(oxo)methane;prop-1-en-2-ylbenzene has a molecular weight of 175.23 g/mol, XLogP of 2.67, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methylimino(oxo)methane;prop-1-en-2-ylbenzene is sourced from PubChem (CID 157367451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).