(3Z)-N-ethyl-3-ethylideneoxan-2-imine

C9H15NO — CID 146613948

IUPAC(3Z)-N-ethyl-3-ethylideneoxan-2-imine
SMILESC/C=C1/CCCO/C1=N\CC
InChIInChI=1S/C9H15NO/c1-3-8-6-5-7-11-9(8)10-4-2/h3H,4-7H2,1-2H3/b8-3-,10-9-
InChIKeyNYTCRWFYSQBARJ-JIGNBWRXSA-N
MW153.22 g/mol
LogP2.16
Rot. Bonds1

About (3Z)-N-ethyl-3-ethylideneoxan-2-imine

(3Z)-N-ethyl-3-ethylideneoxan-2-imine (PubChem CID 146613948) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is (3Z)-N-ethyl-3-ethylideneoxan-2-imine.

Molecular Properties

Compound Name(3Z)-N-ethyl-3-ethylideneoxan-2-imine
PubChem CID146613948
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name(3Z)-N-ethyl-3-ethylideneoxan-2-imine
SMILESC/C=C1/CCCO/C1=N\CC
InChIInChI=1S/C9H15NO/c1-3-8-6-5-7-11-9(8)10-4-2/h3H,4-7H2,1-2H3/b8-3-,10-9-
InChIKeyNYTCRWFYSQBARJ-JIGNBWRXSA-N
XLogP2.16
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 52.16
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

(1E,2Z)-1,2-di(ethylidene)cyclohexane
CID 102070913
(3E)-3-propylideneoxan-2-one
CID 13398830
(2Z,3Z)-3-[(Z)-but-2-enylidene]-2-ethylideneoxane
CID 89289028
1,2-di(ethylidene)cyclooctane
CID 134898176
oxolan-2-one;propane
CID 91446607
ethane;(1Z,2Z)-1-ethylidene-2-propylidenecyclopentane;fluoromethane
CID 142105046
(2E,6Z)-2,6-di(ethylidene)-N-methylcyclohexan-1-imine;ethane
CID 153388202
ethane;2-methylideneoxolane
CID 90904497
(2E,3Z)-2-ethylidene-3-propylideneoxolane
CID 142121655
(1E)-1-ethylidene-2-methylidenecyclopentane
CID 142947641
(E)-[(3Z)-3-ethylideneoxolan-2-ylidene]methanamine
CID 144833852
ethane;(2E)-2-[(Z)-2-propan-2-ylbut-2-enylidene]oxolane
CID 169193248

Frequently Asked Questions

What is the IUPAC name of (3Z)-N-ethyl-3-ethylideneoxan-2-imine?
The IUPAC name of (3Z)-N-ethyl-3-ethylideneoxan-2-imine (CID 146613948) is (3Z)-N-ethyl-3-ethylideneoxan-2-imine.
What is the SMILES notation for (3Z)-N-ethyl-3-ethylideneoxan-2-imine?
The canonical SMILES for (3Z)-N-ethyl-3-ethylideneoxan-2-imine is C/C=C1/CCCO/C1=N\CC.
What is the InChIKey of (3Z)-N-ethyl-3-ethylideneoxan-2-imine?
The InChIKey is NYTCRWFYSQBARJ-JIGNBWRXSA-N. The full InChI is InChI=1S/C9H15NO/c1-3-8-6-5-7-11-9(8)10-4-2/h3H,4-7H2,1-2H3/b8-3-,10-9-.
What are the key properties of (3Z)-N-ethyl-3-ethylideneoxan-2-imine?
(3Z)-N-ethyl-3-ethylideneoxan-2-imine has a molecular weight of 153.22 g/mol, XLogP of 2.16, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-N-ethyl-3-ethylideneoxan-2-imine is sourced from PubChem (CID 146613948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).