(E)-N-methoxy-3-methylbut-2-en-1-imine

C6H11NO — CID 177464066

IUPAC(E)-N-methoxy-3-methylbut-2-en-1-imine
SMILESCO/N=C/C=C(C)C
InChIInChI=1S/C6H11NO/c1-6(2)4-5-7-8-3/h4-5H,1-3H3/b7-5+
InChIKeyHKYHJMQZDXTRPB-FNORWQNLSA-N
MW113.16 g/mol
LogP1.58
Rot. Bonds2

About (E)-N-methoxy-3-methylbut-2-en-1-imine

(E)-N-methoxy-3-methylbut-2-en-1-imine (PubChem CID 177464066) has the molecular formula C6H11NO and a molecular weight of 113.16 g/mol. Its IUPAC name is (E)-N-methoxy-3-methylbut-2-en-1-imine.

Molecular Properties

Compound Name(E)-N-methoxy-3-methylbut-2-en-1-imine
PubChem CID177464066
Molecular FormulaC6H11NO
Molecular Weight113.16 g/mol
Exact Mass113.08
IUPAC Name(E)-N-methoxy-3-methylbut-2-en-1-imine
SMILESCO/N=C/C=C(C)C
InChIInChI=1S/C6H11NO/c1-6(2)4-5-7-8-3/h4-5H,1-3H3/b7-5+
InChIKeyHKYHJMQZDXTRPB-FNORWQNLSA-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': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-N-methoxy-3-methylbut-2-en-1-imine?
The IUPAC name of (E)-N-methoxy-3-methylbut-2-en-1-imine (CID 177464066) is (E)-N-methoxy-3-methylbut-2-en-1-imine.
What is the SMILES notation for (E)-N-methoxy-3-methylbut-2-en-1-imine?
The canonical SMILES for (E)-N-methoxy-3-methylbut-2-en-1-imine is CO/N=C/C=C(C)C.
What is the InChIKey of (E)-N-methoxy-3-methylbut-2-en-1-imine?
The InChIKey is HKYHJMQZDXTRPB-FNORWQNLSA-N. The full InChI is InChI=1S/C6H11NO/c1-6(2)4-5-7-8-3/h4-5H,1-3H3/b7-5+.
What are the key properties of (E)-N-methoxy-3-methylbut-2-en-1-imine?
(E)-N-methoxy-3-methylbut-2-en-1-imine 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 (E)-N-methoxy-3-methylbut-2-en-1-imine is sourced from PubChem (CID 177464066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).