benzaldehyde;N-ethenylethenamine

C11H13NO — CID 18330714

IUPACbenzaldehyde;N-ethenylethenamine
SMILESC=CNC=C.O=Cc1ccccc1
InChIInChI=1S/C7H6O.C4H7N/c8-6-7-4-2-1-3-5-7;1-3-5-4-2/h1-6H;3-5H,1-2H2
InChIKeyNNOVQXPIWXLGJA-UHFFFAOYSA-N
MW175.23 g/mol
LogP2.36
Rot. Bonds3

About benzaldehyde;N-ethenylethenamine

benzaldehyde;N-ethenylethenamine (PubChem CID 18330714) has the molecular formula C11H13NO and a molecular weight of 175.23 g/mol. Its IUPAC name is benzaldehyde;N-ethenylethenamine.

Molecular Properties

Compound Namebenzaldehyde;N-ethenylethenamine
PubChem CID18330714
Molecular FormulaC11H13NO
Molecular Weight175.23 g/mol
Exact Mass175.10
IUPAC Namebenzaldehyde;N-ethenylethenamine
SMILESC=CNC=C.O=Cc1ccccc1
InChIInChI=1S/C7H6O.C4H7N/c8-6-7-4-2-1-3-5-7;1-3-5-4-2/h1-6H;3-5H,1-2H2
InChIKeyNNOVQXPIWXLGJA-UHFFFAOYSA-N
XLogP2.36
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of benzaldehyde;N-ethenylethenamine?
The IUPAC name of benzaldehyde;N-ethenylethenamine (CID 18330714) is benzaldehyde;N-ethenylethenamine.
What is the SMILES notation for benzaldehyde;N-ethenylethenamine?
The canonical SMILES for benzaldehyde;N-ethenylethenamine is C=CNC=C.O=Cc1ccccc1.
What is the InChIKey of benzaldehyde;N-ethenylethenamine?
The InChIKey is NNOVQXPIWXLGJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6O.C4H7N/c8-6-7-4-2-1-3-5-7;1-3-5-4-2/h1-6H;3-5H,1-2H2.
What are the key properties of benzaldehyde;N-ethenylethenamine?
benzaldehyde;N-ethenylethenamine has a molecular weight of 175.23 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzaldehyde;N-ethenylethenamine is sourced from PubChem (CID 18330714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).