N-prop-1-enylpropan-1-imine

C6H11N — CID 54113889

IUPACN-prop-1-enylpropan-1-imine
SMILESCC=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-BDEHTBJLSA-N
MW97.16 g/mol
LogP2.00
Rot. Bonds2

About N-prop-1-enylpropan-1-imine

N-prop-1-enylpropan-1-imine (PubChem CID 54113889) has the molecular formula C6H11N and a molecular weight of 97.16 g/mol. Its IUPAC name is N-prop-1-enylpropan-1-imine.

Molecular Properties

Compound NameN-prop-1-enylpropan-1-imine
PubChem CID54113889
Molecular FormulaC6H11N
Molecular Weight97.16 g/mol
Exact Mass97.09
IUPAC NameN-prop-1-enylpropan-1-imine
SMILESCC=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-BDEHTBJLSA-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-prop-1-enylpropan-1-imine?
The IUPAC name of N-prop-1-enylpropan-1-imine (CID 54113889) is N-prop-1-enylpropan-1-imine.
What is the SMILES notation for N-prop-1-enylpropan-1-imine?
The canonical SMILES for N-prop-1-enylpropan-1-imine is CC=C/N=C/CC.
What is the InChIKey of N-prop-1-enylpropan-1-imine?
The InChIKey is NIZFNFMJOLXPPA-BDEHTBJLSA-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-prop-1-enylpropan-1-imine?
N-prop-1-enylpropan-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-prop-1-enylpropan-1-imine is sourced from PubChem (CID 54113889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).