4-methoxypent-3-en-2-imine

C6H11NO — CID 91319087

IUPAC4-methoxypent-3-en-2-imine
SMILES[H]/N=C(\C)C=C(C)OC
InChIInChI=1S/C6H11NO/c1-5(7)4-6(2)8-3/h4,7H,1-3H3/b6-4?,7-5+
InChIKeyYYOOCNZBJNHEAK-PKSVUWDWSA-N
MW113.16 g/mol
LogP1.58
Rot. Bonds2

About 4-methoxypent-3-en-2-imine

4-methoxypent-3-en-2-imine (PubChem CID 91319087) has the molecular formula C6H11NO and a molecular weight of 113.16 g/mol. Its IUPAC name is 4-methoxypent-3-en-2-imine.

Molecular Properties

Compound Name4-methoxypent-3-en-2-imine
PubChem CID91319087
Molecular FormulaC6H11NO
Molecular Weight113.16 g/mol
Exact Mass113.08
IUPAC Name4-methoxypent-3-en-2-imine
SMILES[H]/N=C(\C)C=C(C)OC
InChIInChI=1S/C6H11NO/c1-5(7)4-6(2)8-3/h4,7H,1-3H3/b6-4?,7-5+
InChIKeyYYOOCNZBJNHEAK-PKSVUWDWSA-N
XLogP1.58
TPSA33.08 Ų
H-Bond Donors1
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 ≤ 51
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

(Z)-4-methoxypent-3-en-2-imine
CID 12462133
(Z)-4-methoxy-3-methylpent-3-en-2-imine
CID 12462135
(E)-4-methoxy-N-methylpent-3-en-2-imine
CID 53982430
(Z)-4-iminopent-2-en-2-olate
CID 58104794
(Z)-4-methoxy-N-methylpent-3-en-2-imine
CID 59782201
4-methoxy-N-methylpent-3-en-2-imine
CID 76089775
(Z)-5-methoxyhex-4-en-3-imine
CID 90392307
(E)-5-methoxyoct-4-en-3-imine
CID 91483796
(Z)-4-methoxy-5,5-dimethylhex-3-en-2-imine
CID 117717664
(E)-3-methoxyhex-3-en-2-imine
CID 123163925
(E)-5-methoxyhex-4-en-3-imine
CID 123206559
(E)-4-methoxy-N-methylhex-3-en-2-imine
CID 123311460

Frequently Asked Questions

What is the IUPAC name of 4-methoxypent-3-en-2-imine?
The IUPAC name of 4-methoxypent-3-en-2-imine (CID 91319087) is 4-methoxypent-3-en-2-imine.
What is the SMILES notation for 4-methoxypent-3-en-2-imine?
The canonical SMILES for 4-methoxypent-3-en-2-imine is [H]/N=C(\C)C=C(C)OC.
What is the InChIKey of 4-methoxypent-3-en-2-imine?
The InChIKey is YYOOCNZBJNHEAK-PKSVUWDWSA-N. The full InChI is InChI=1S/C6H11NO/c1-5(7)4-6(2)8-3/h4,7H,1-3H3/b6-4?,7-5+.
What are the key properties of 4-methoxypent-3-en-2-imine?
4-methoxypent-3-en-2-imine has a molecular weight of 113.16 g/mol, XLogP of 1.58, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxypent-3-en-2-imine is sourced from PubChem (CID 91319087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).