methyl N-(3-methylpent-2-en-2-yl)ethanimidate

C9H17NO — CID 123214364

IUPACmethyl N-(3-methylpent-2-en-2-yl)ethanimidate
SMILESCCC(C)=C(C)/N=C(\C)OC
InChIInChI=1S/C9H17NO/c1-6-7(2)8(3)10-9(4)11-5/h6H2,1-5H3/b8-7?,10-9+
InChIKeyFLTWLUAXTHVWDF-IPBYNONMSA-N
MW155.24 g/mol
LogP2.76
Rot. Bonds2

About methyl N-(3-methylpent-2-en-2-yl)ethanimidate

methyl N-(3-methylpent-2-en-2-yl)ethanimidate (PubChem CID 123214364) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is methyl N-(3-methylpent-2-en-2-yl)ethanimidate.

Molecular Properties

Compound Namemethyl N-(3-methylpent-2-en-2-yl)ethanimidate
PubChem CID123214364
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Namemethyl N-(3-methylpent-2-en-2-yl)ethanimidate
SMILESCCC(C)=C(C)/N=C(\C)OC
InChIInChI=1S/C9H17NO/c1-6-7(2)8(3)10-9(4)11-5/h6H2,1-5H3/b8-7?,10-9+
InChIKeyFLTWLUAXTHVWDF-IPBYNONMSA-N
XLogP2.76
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl N-(3-methylpent-2-en-2-yl)ethanimidate?
The IUPAC name of methyl N-(3-methylpent-2-en-2-yl)ethanimidate (CID 123214364) is methyl N-(3-methylpent-2-en-2-yl)ethanimidate.
What is the SMILES notation for methyl N-(3-methylpent-2-en-2-yl)ethanimidate?
The canonical SMILES for methyl N-(3-methylpent-2-en-2-yl)ethanimidate is CCC(C)=C(C)/N=C(\C)OC.
What is the InChIKey of methyl N-(3-methylpent-2-en-2-yl)ethanimidate?
The InChIKey is FLTWLUAXTHVWDF-IPBYNONMSA-N. The full InChI is InChI=1S/C9H17NO/c1-6-7(2)8(3)10-9(4)11-5/h6H2,1-5H3/b8-7?,10-9+.
What are the key properties of methyl N-(3-methylpent-2-en-2-yl)ethanimidate?
methyl N-(3-methylpent-2-en-2-yl)ethanimidate has a molecular weight of 155.24 g/mol, XLogP of 2.76, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(3-methylpent-2-en-2-yl)ethanimidate is sourced from PubChem (CID 123214364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).