ethene;1-methylidene-2-(oxan-4-yl)guanidine

C9H17N3O — CID 156898460

IUPACethene;1-methylidene-2-(oxan-4-yl)guanidine
SMILESC=C.C=N/C(N)=N\C1CCOCC1
InChIInChI=1S/C7H13N3O.C2H4/c1-9-7(8)10-6-2-4-11-5-3-6;1-2/h6H,1-5H2,(H2,8,10);1-2H2
InChIKeyHIHMWBBONNBOBV-UHFFFAOYSA-N
MW183.25 g/mol
LogP0.98
Rot. Bonds1

About ethene;1-methylidene-2-(oxan-4-yl)guanidine

ethene;1-methylidene-2-(oxan-4-yl)guanidine (PubChem CID 156898460) has the molecular formula C9H17N3O and a molecular weight of 183.25 g/mol. Its IUPAC name is ethene;1-methylidene-2-(oxan-4-yl)guanidine.

Molecular Properties

Compound Nameethene;1-methylidene-2-(oxan-4-yl)guanidine
PubChem CID156898460
Molecular FormulaC9H17N3O
Molecular Weight183.25 g/mol
Exact Mass183.14
IUPAC Nameethene;1-methylidene-2-(oxan-4-yl)guanidine
SMILESC=C.C=N/C(N)=N\C1CCOCC1
InChIInChI=1S/C7H13N3O.C2H4/c1-9-7(8)10-6-2-4-11-5-3-6;1-2/h6H,1-5H2,(H2,8,10);1-2H2
InChIKeyHIHMWBBONNBOBV-UHFFFAOYSA-N
XLogP0.98
TPSA59.97 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethene;1-methylidene-2-(oxan-4-yl)guanidine?
The IUPAC name of ethene;1-methylidene-2-(oxan-4-yl)guanidine (CID 156898460) is ethene;1-methylidene-2-(oxan-4-yl)guanidine.
What is the SMILES notation for ethene;1-methylidene-2-(oxan-4-yl)guanidine?
The canonical SMILES for ethene;1-methylidene-2-(oxan-4-yl)guanidine is C=C.C=N/C(N)=N\C1CCOCC1.
What is the InChIKey of ethene;1-methylidene-2-(oxan-4-yl)guanidine?
The InChIKey is HIHMWBBONNBOBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O.C2H4/c1-9-7(8)10-6-2-4-11-5-3-6;1-2/h6H,1-5H2,(H2,8,10);1-2H2.
What are the key properties of ethene;1-methylidene-2-(oxan-4-yl)guanidine?
ethene;1-methylidene-2-(oxan-4-yl)guanidine has a molecular weight of 183.25 g/mol, XLogP of 0.98, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;1-methylidene-2-(oxan-4-yl)guanidine is sourced from PubChem (CID 156898460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).