methylimino(oxo)methane;styrene

C10H11NO — CID 87500917

IUPACmethylimino(oxo)methane;styrene
SMILESC=Cc1ccccc1.CN=C=O
InChIInChI=1S/C8H8.C2H3NO/c1-2-8-6-4-3-5-7-8;1-3-2-4/h2-7H,1H2;1H3
InChIKeyBSLAVXIHVVHHCU-UHFFFAOYSA-N
MW161.20 g/mol
LogP2.28
Rot. Bonds1

About methylimino(oxo)methane;styrene

methylimino(oxo)methane;styrene (PubChem CID 87500917) has the molecular formula C10H11NO and a molecular weight of 161.20 g/mol. Its IUPAC name is methylimino(oxo)methane;styrene.

Molecular Properties

Compound Namemethylimino(oxo)methane;styrene
PubChem CID87500917
Molecular FormulaC10H11NO
Molecular Weight161.20 g/mol
Exact Mass161.08
IUPAC Namemethylimino(oxo)methane;styrene
SMILESC=Cc1ccccc1.CN=C=O
InChIInChI=1S/C8H8.C2H3NO/c1-2-8-6-4-3-5-7-8;1-3-2-4/h2-7H,1H2;1H3
InChIKeyBSLAVXIHVVHHCU-UHFFFAOYSA-N
XLogP2.28
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.20
LogP ≤ 52.28
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'}

Analyze methylimino(oxo)methane;styrene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methylimino(oxo)methane;styrene?
The IUPAC name of methylimino(oxo)methane;styrene (CID 87500917) is methylimino(oxo)methane;styrene.
What is the SMILES notation for methylimino(oxo)methane;styrene?
The canonical SMILES for methylimino(oxo)methane;styrene is C=Cc1ccccc1.CN=C=O.
What is the InChIKey of methylimino(oxo)methane;styrene?
The InChIKey is BSLAVXIHVVHHCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8.C2H3NO/c1-2-8-6-4-3-5-7-8;1-3-2-4/h2-7H,1H2;1H3.
What are the key properties of methylimino(oxo)methane;styrene?
methylimino(oxo)methane;styrene has a molecular weight of 161.20 g/mol, XLogP of 2.28, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methylimino(oxo)methane;styrene is sourced from PubChem (CID 87500917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).