ethyl N-[(Z)-pent-2-enyl]ethanimidate

C9H17NO — CID 121327278

IUPACethyl N-[(Z)-pent-2-enyl]ethanimidate
SMILESCC/C=C\C/N=C(\C)OCC
InChIInChI=1S/C9H17NO/c1-4-6-7-8-10-9(3)11-5-2/h6-7H,4-5,8H2,1-3H3/b7-6-,10-9+
InChIKeyFIIVFFQBHVMBNM-IXWMQOLASA-N
MW155.24 g/mol
LogP2.41
Rot. Bonds4

About ethyl N-[(Z)-pent-2-enyl]ethanimidate

ethyl N-[(Z)-pent-2-enyl]ethanimidate (PubChem CID 121327278) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is ethyl N-[(Z)-pent-2-enyl]ethanimidate.

Molecular Properties

Compound Nameethyl N-[(Z)-pent-2-enyl]ethanimidate
PubChem CID121327278
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Nameethyl N-[(Z)-pent-2-enyl]ethanimidate
SMILESCC/C=C\C/N=C(\C)OCC
InChIInChI=1S/C9H17NO/c1-4-6-7-8-10-9(3)11-5-2/h6-7H,4-5,8H2,1-3H3/b7-6-,10-9+
InChIKeyFIIVFFQBHVMBNM-IXWMQOLASA-N
XLogP2.41
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 52.41
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl N-[(Z)-pent-2-enyl]ethanimidate?
The IUPAC name of ethyl N-[(Z)-pent-2-enyl]ethanimidate (CID 121327278) is ethyl N-[(Z)-pent-2-enyl]ethanimidate.
What is the SMILES notation for ethyl N-[(Z)-pent-2-enyl]ethanimidate?
The canonical SMILES for ethyl N-[(Z)-pent-2-enyl]ethanimidate is CC/C=C\C/N=C(\C)OCC.
What is the InChIKey of ethyl N-[(Z)-pent-2-enyl]ethanimidate?
The InChIKey is FIIVFFQBHVMBNM-IXWMQOLASA-N. The full InChI is InChI=1S/C9H17NO/c1-4-6-7-8-10-9(3)11-5-2/h6-7H,4-5,8H2,1-3H3/b7-6-,10-9+.
What are the key properties of ethyl N-[(Z)-pent-2-enyl]ethanimidate?
ethyl N-[(Z)-pent-2-enyl]ethanimidate has a molecular weight of 155.24 g/mol, XLogP of 2.41, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[(Z)-pent-2-enyl]ethanimidate is sourced from PubChem (CID 121327278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).