ethenoxyethene;pyridin-2-amine

C9H12N2O — CID 66677785

IUPACethenoxyethene;pyridin-2-amine
SMILESC=COC=C.Nc1ccccn1
InChIInChI=1S/C5H6N2.C4H6O/c6-5-3-1-2-4-7-5;1-3-5-4-2/h1-4H,(H2,6,7);3-4H,1-2H2
InChIKeyDTCTUSKEPKTEBZ-UHFFFAOYSA-N
MW164.21 g/mol
LogP1.95
Rot. Bonds2

About ethenoxyethene;pyridin-2-amine

ethenoxyethene;pyridin-2-amine (PubChem CID 66677785) has the molecular formula C9H12N2O and a molecular weight of 164.21 g/mol. Its IUPAC name is ethenoxyethene;pyridin-2-amine.

Molecular Properties

Compound Nameethenoxyethene;pyridin-2-amine
PubChem CID66677785
Molecular FormulaC9H12N2O
Molecular Weight164.21 g/mol
Exact Mass164.09
IUPAC Nameethenoxyethene;pyridin-2-amine
SMILESC=COC=C.Nc1ccccn1
InChIInChI=1S/C5H6N2.C4H6O/c6-5-3-1-2-4-7-5;1-3-5-4-2/h1-4H,(H2,6,7);3-4H,1-2H2
InChIKeyDTCTUSKEPKTEBZ-UHFFFAOYSA-N
XLogP1.95
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.21
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethenoxyethene;pyridin-2-amine?
The IUPAC name of ethenoxyethene;pyridin-2-amine (CID 66677785) is ethenoxyethene;pyridin-2-amine.
What is the SMILES notation for ethenoxyethene;pyridin-2-amine?
The canonical SMILES for ethenoxyethene;pyridin-2-amine is C=COC=C.Nc1ccccn1.
What is the InChIKey of ethenoxyethene;pyridin-2-amine?
The InChIKey is DTCTUSKEPKTEBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2.C4H6O/c6-5-3-1-2-4-7-5;1-3-5-4-2/h1-4H,(H2,6,7);3-4H,1-2H2.
What are the key properties of ethenoxyethene;pyridin-2-amine?
ethenoxyethene;pyridin-2-amine has a molecular weight of 164.21 g/mol, XLogP of 1.95, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethenoxyethene;pyridin-2-amine is sourced from PubChem (CID 66677785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).