N-[(Z)-prop-1-enyl]ethanimine

C5H9N — CID 59954783

IUPACN-[(Z)-prop-1-enyl]ethanimine
SMILESC/C=C\N=C\C
InChIInChI=1S/C5H9N/c1-3-5-6-4-2/h3-5H,1-2H3/b5-3-,6-4+
InChIKeyURSOIPNQXXGANU-CIIODKQPSA-N
MW83.13 g/mol
LogP1.61
Rot. Bonds1

About N-[(Z)-prop-1-enyl]ethanimine

N-[(Z)-prop-1-enyl]ethanimine (PubChem CID 59954783) has the molecular formula C5H9N and a molecular weight of 83.13 g/mol. Its IUPAC name is N-[(Z)-prop-1-enyl]ethanimine.

Molecular Properties

Compound NameN-[(Z)-prop-1-enyl]ethanimine
PubChem CID59954783
Molecular FormulaC5H9N
Molecular Weight83.13 g/mol
Exact Mass83.07
IUPAC NameN-[(Z)-prop-1-enyl]ethanimine
SMILESC/C=C\N=C\C
InChIInChI=1S/C5H9N/c1-3-5-6-4-2/h3-5H,1-2H3/b5-3-,6-4+
InChIKeyURSOIPNQXXGANU-CIIODKQPSA-N
XLogP1.61
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50083.13
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-prop-1-enyl]ethanimine?
The IUPAC name of N-[(Z)-prop-1-enyl]ethanimine (CID 59954783) is N-[(Z)-prop-1-enyl]ethanimine.
What is the SMILES notation for N-[(Z)-prop-1-enyl]ethanimine?
The canonical SMILES for N-[(Z)-prop-1-enyl]ethanimine is C/C=C\N=C\C.
What is the InChIKey of N-[(Z)-prop-1-enyl]ethanimine?
The InChIKey is URSOIPNQXXGANU-CIIODKQPSA-N. The full InChI is InChI=1S/C5H9N/c1-3-5-6-4-2/h3-5H,1-2H3/b5-3-,6-4+.
What are the key properties of N-[(Z)-prop-1-enyl]ethanimine?
N-[(Z)-prop-1-enyl]ethanimine has a molecular weight of 83.13 g/mol, XLogP of 1.61, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-prop-1-enyl]ethanimine is sourced from PubChem (CID 59954783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).