N-ethenyl-2-methylideneoxolan-3-imine

C7H9NO — CID 143679224

IUPACN-ethenyl-2-methylideneoxolan-3-imine
SMILESC=C/N=C1\CCOC1=C
InChIInChI=1S/C7H9NO/c1-3-8-7-4-5-9-6(7)2/h3H,1-2,4-5H2/b8-7+
InChIKeyXUTJXJTYBAZRSU-BQYQJAHWSA-N
MW123.15 g/mol
LogP1.50
Rot. Bonds1

About N-ethenyl-2-methylideneoxolan-3-imine

N-ethenyl-2-methylideneoxolan-3-imine (PubChem CID 143679224) has the molecular formula C7H9NO and a molecular weight of 123.15 g/mol. Its IUPAC name is N-ethenyl-2-methylideneoxolan-3-imine.

Molecular Properties

Compound NameN-ethenyl-2-methylideneoxolan-3-imine
PubChem CID143679224
Molecular FormulaC7H9NO
Molecular Weight123.15 g/mol
Exact Mass123.07
IUPAC NameN-ethenyl-2-methylideneoxolan-3-imine
SMILESC=C/N=C1\CCOC1=C
InChIInChI=1S/C7H9NO/c1-3-8-7-4-5-9-6(7)2/h3H,1-2,4-5H2/b8-7+
InChIKeyXUTJXJTYBAZRSU-BQYQJAHWSA-N
XLogP1.50
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.15
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethane;2-methylideneoxolane
CID 90904497
(2E)-2-ethylidene-3-methylidene-1,4-dioxane
CID 144611337
[(Z)-(2-oxooxolan-3-ylidene)amino]thiourea
CID 45490185
5-[(1Z)-buta-1,3-dienyl]-4-methyl-2,3-dihydrofuran
CID 89192695
(5Z)-5-[(3Z)-3-ethylideneoxolan-2-ylidene]-4-methylhepta-1,6-dien-2-ol
CID 142813174
4-phenyl-5-prop-2-enyl-2,3-dihydrofuran
CID 70259373
3-ethylidene-2-prop-2-enylideneoxolane
CID 91481308
(3Z,4S)-4-methyl-2-methylidene-3-prop-2-enylideneoxane
CID 143654517
2-methylidene-5,6-dihydro-4H-furo[2,3-b]pyran-3-one
CID 86087523
(3Z,4R)-4-methyl-2-methylidene-3-prop-2-enylideneoxane
CID 143673822
6-ethenyl-2,3-dihydrothieno[3,4-b]furan
CID 177208715
ethenimine;oxetan-2-one
CID 23354889

Frequently Asked Questions

What is the IUPAC name of N-ethenyl-2-methylideneoxolan-3-imine?
The IUPAC name of N-ethenyl-2-methylideneoxolan-3-imine (CID 143679224) is N-ethenyl-2-methylideneoxolan-3-imine.
What is the SMILES notation for N-ethenyl-2-methylideneoxolan-3-imine?
The canonical SMILES for N-ethenyl-2-methylideneoxolan-3-imine is C=C/N=C1\CCOC1=C.
What is the InChIKey of N-ethenyl-2-methylideneoxolan-3-imine?
The InChIKey is XUTJXJTYBAZRSU-BQYQJAHWSA-N. The full InChI is InChI=1S/C7H9NO/c1-3-8-7-4-5-9-6(7)2/h3H,1-2,4-5H2/b8-7+.
What are the key properties of N-ethenyl-2-methylideneoxolan-3-imine?
N-ethenyl-2-methylideneoxolan-3-imine has a molecular weight of 123.15 g/mol, XLogP of 1.50, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethenyl-2-methylideneoxolan-3-imine is sourced from PubChem (CID 143679224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).