[(E)-pent-2-en-2-yl] N-methylethanimidate

C8H15NO — CID 164574589

IUPAC[(E)-pent-2-en-2-yl] N-methylethanimidate
SMILESCC/C=C(\C)O/C(C)=N/C
InChIInChI=1S/C8H15NO/c1-5-6-7(2)10-8(3)9-4/h6H,5H2,1-4H3/b7-6+,9-8+
InChIKeyFWRKOWLYTHJJLW-BLHCBFLLSA-N
MW141.21 g/mol
LogP2.37
Rot. Bonds2

About [(E)-pent-2-en-2-yl] N-methylethanimidate

[(E)-pent-2-en-2-yl] N-methylethanimidate (PubChem CID 164574589) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is [(E)-pent-2-en-2-yl] N-methylethanimidate.

Molecular Properties

Compound Name[(E)-pent-2-en-2-yl] N-methylethanimidate
PubChem CID164574589
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name[(E)-pent-2-en-2-yl] N-methylethanimidate
SMILESCC/C=C(\C)O/C(C)=N/C
InChIInChI=1S/C8H15NO/c1-5-6-7(2)10-8(3)9-4/h6H,5H2,1-4H3/b7-6+,9-8+
InChIKeyFWRKOWLYTHJJLW-BLHCBFLLSA-N
XLogP2.37
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 52.37
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'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2,4,4,6-tetramethyl-4H-1,3-oxazine
CID 24978409
InChI=1/C9H14NO/c1-7-5-9(10(3)4)6-8(2)11-7/h5-6H,1-4H3/q+
CID 5325147
(E)-4-methoxy-N-methylpent-3-en-2-imine
CID 53982430
(Z)-4-methoxy-N-methylpent-3-en-2-imine
CID 59782201
4-methoxy-N-methylpent-3-en-2-imine
CID 76089775
4-ethyl-2,6-dimethyl-4H-1,3-oxazine
CID 91242441
(E)-4-methoxy-N-methylhex-3-en-2-imine
CID 123311460
[(E)-3-methylpent-2-en-2-yl] N-methylethanimidate
CID 126692728
[(E)-but-2-en-2-yl] N-methylethanimidate
CID 141985951
[(Z)-but-2-en-2-yl] N-methylpropanimidate
CID 142178260
6-ethyl-2,4-dimethyl-4H-1,3-oxazine
CID 144465049
2,7-Dimethyl-4,5-dihydro-1,3-oxazepine
CID 154531298

Frequently Asked Questions

What is the IUPAC name of [(E)-pent-2-en-2-yl] N-methylethanimidate?
The IUPAC name of [(E)-pent-2-en-2-yl] N-methylethanimidate (CID 164574589) is [(E)-pent-2-en-2-yl] N-methylethanimidate.
What is the SMILES notation for [(E)-pent-2-en-2-yl] N-methylethanimidate?
The canonical SMILES for [(E)-pent-2-en-2-yl] N-methylethanimidate is CC/C=C(\C)O/C(C)=N/C.
What is the InChIKey of [(E)-pent-2-en-2-yl] N-methylethanimidate?
The InChIKey is FWRKOWLYTHJJLW-BLHCBFLLSA-N. The full InChI is InChI=1S/C8H15NO/c1-5-6-7(2)10-8(3)9-4/h6H,5H2,1-4H3/b7-6+,9-8+.
What are the key properties of [(E)-pent-2-en-2-yl] N-methylethanimidate?
[(E)-pent-2-en-2-yl] N-methylethanimidate has a molecular weight of 141.21 g/mol, XLogP of 2.37, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-pent-2-en-2-yl] N-methylethanimidate is sourced from PubChem (CID 164574589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).