N-[(E)-prop-1-enyl]propan-1-imine

C6H11N — CID 12603153

IUPACN-[(E)-prop-1-enyl]propan-1-imine
SMILESC/C=C/N=C/CC
InChIInChI=1S/C6H11N/c1-3-5-7-6-4-2/h3,5-6H,4H2,1-2H3/b5-3+,7-6+
InChIKeyNIZFNFMJOLXPPA-TWTPFVCWSA-N
MW97.16 g/mol
LogP2.00
Rot. Bonds2

About N-[(E)-prop-1-enyl]propan-1-imine

N-[(E)-prop-1-enyl]propan-1-imine (PubChem CID 12603153) has the molecular formula C6H11N and a molecular weight of 97.16 g/mol. Its IUPAC name is N-[(E)-prop-1-enyl]propan-1-imine.

Molecular Properties

Compound NameN-[(E)-prop-1-enyl]propan-1-imine
PubChem CID12603153
Molecular FormulaC6H11N
Molecular Weight97.16 g/mol
Exact Mass97.09
IUPAC NameN-[(E)-prop-1-enyl]propan-1-imine
SMILESC/C=C/N=C/CC
InChIInChI=1S/C6H11N/c1-3-5-7-6-4-2/h3,5-6H,4H2,1-2H3/b5-3+,7-6+
InChIKeyNIZFNFMJOLXPPA-TWTPFVCWSA-N
XLogP2.00
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50097.16
LogP ≤ 52.00
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-[(E)-prop-1-enyl]propan-1-imine?
The IUPAC name of N-[(E)-prop-1-enyl]propan-1-imine (CID 12603153) is N-[(E)-prop-1-enyl]propan-1-imine.
What is the SMILES notation for N-[(E)-prop-1-enyl]propan-1-imine?
The canonical SMILES for N-[(E)-prop-1-enyl]propan-1-imine is C/C=C/N=C/CC.
What is the InChIKey of N-[(E)-prop-1-enyl]propan-1-imine?
The InChIKey is NIZFNFMJOLXPPA-TWTPFVCWSA-N. The full InChI is InChI=1S/C6H11N/c1-3-5-7-6-4-2/h3,5-6H,4H2,1-2H3/b5-3+,7-6+.
What are the key properties of N-[(E)-prop-1-enyl]propan-1-imine?
N-[(E)-prop-1-enyl]propan-1-imine has a molecular weight of 97.16 g/mol, XLogP of 2.00, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-prop-1-enyl]propan-1-imine is sourced from PubChem (CID 12603153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).