N-[(Z)-2-methoxyprop-1-enyl]ethanimine

C6H11NO — CID 142265858

IUPACN-[(Z)-2-methoxyprop-1-enyl]ethanimine
SMILESC/C=N/C=C(/C)OC
InChIInChI=1S/C6H11NO/c1-4-7-5-6(2)8-3/h4-5H,1-3H3/b6-5-,7-4+
InChIKeyNAOGIHZLBDUREE-IUQJDUBZSA-N
MW113.16 g/mol
LogP1.58
Rot. Bonds2

About N-[(Z)-2-methoxyprop-1-enyl]ethanimine

N-[(Z)-2-methoxyprop-1-enyl]ethanimine (PubChem CID 142265858) has the molecular formula C6H11NO and a molecular weight of 113.16 g/mol. Its IUPAC name is N-[(Z)-2-methoxyprop-1-enyl]ethanimine.

Molecular Properties

Compound NameN-[(Z)-2-methoxyprop-1-enyl]ethanimine
PubChem CID142265858
Molecular FormulaC6H11NO
Molecular Weight113.16 g/mol
Exact Mass113.08
IUPAC NameN-[(Z)-2-methoxyprop-1-enyl]ethanimine
SMILESC/C=N/C=C(/C)OC
InChIInChI=1S/C6H11NO/c1-4-7-5-6(2)8-3/h4-5H,1-3H3/b6-5-,7-4+
InChIKeyNAOGIHZLBDUREE-IUQJDUBZSA-N
XLogP1.58
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.16
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-(2-methoxyprop-1-enyl)ethanimidoyl fluoride
CID 123400399
2-methoxy-N-methylprop-2-en-1-imine
CID 123732044
(Z)-1-(ethylideneamino)prop-1-en-2-ol
CID 143163439
ethane;N-[(Z)-2-methoxyprop-1-enyl]ethanimine
CID 143163456
ethane;N-[(Z)-2-methoxyprop-1-enyl]butan-1-imine
CID 143452721
N-[(E)-2-ethoxyprop-1-enyl]methanimine
CID 143586253
N-ethenyl-2-methoxyprop-2-en-1-imine
CID 143723017
2,6-dimethyl-2H-1,4-oxazine
CID 144753335
butane;N-[(E)-2-methoxyprop-1-enyl]ethanimine
CID 145129610
ethane;N-[(Z)-2-methoxyprop-1-enyl]methanimine
CID 145443431
N-[(Z)-2-methoxyprop-1-enyl]methanimine
CID 145443432
(E)-1-(ethylideneamino)prop-1-en-2-ol
CID 153686000

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-2-methoxyprop-1-enyl]ethanimine?
The IUPAC name of N-[(Z)-2-methoxyprop-1-enyl]ethanimine (CID 142265858) is N-[(Z)-2-methoxyprop-1-enyl]ethanimine.
What is the SMILES notation for N-[(Z)-2-methoxyprop-1-enyl]ethanimine?
The canonical SMILES for N-[(Z)-2-methoxyprop-1-enyl]ethanimine is C/C=N/C=C(/C)OC.
What is the InChIKey of N-[(Z)-2-methoxyprop-1-enyl]ethanimine?
The InChIKey is NAOGIHZLBDUREE-IUQJDUBZSA-N. The full InChI is InChI=1S/C6H11NO/c1-4-7-5-6(2)8-3/h4-5H,1-3H3/b6-5-,7-4+.
What are the key properties of N-[(Z)-2-methoxyprop-1-enyl]ethanimine?
N-[(Z)-2-methoxyprop-1-enyl]ethanimine has a molecular weight of 113.16 g/mol, XLogP of 1.58, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-2-methoxyprop-1-enyl]ethanimine is sourced from PubChem (CID 142265858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).