N-prop-1-enylbut-2-en-1-imine

C7H11N — CID 91105383

IUPACN-prop-1-enylbut-2-en-1-imine
SMILESCC=C/C=N/C=CC
InChIInChI=1S/C7H11N/c1-3-5-7-8-6-4-2/h3-7H,1-2H3/b5-3?,6-4?,8-7+
InChIKeyPSVNOQDVJFDFQR-OAWMMUNUSA-N
MW109.17 g/mol
LogP2.17
Rot. Bonds2

About N-prop-1-enylbut-2-en-1-imine

N-prop-1-enylbut-2-en-1-imine (PubChem CID 91105383) has the molecular formula C7H11N and a molecular weight of 109.17 g/mol. Its IUPAC name is N-prop-1-enylbut-2-en-1-imine.

Molecular Properties

Compound NameN-prop-1-enylbut-2-en-1-imine
PubChem CID91105383
Molecular FormulaC7H11N
Molecular Weight109.17 g/mol
Exact Mass109.09
IUPAC NameN-prop-1-enylbut-2-en-1-imine
SMILESCC=C/C=N/C=CC
InChIInChI=1S/C7H11N/c1-3-5-7-8-6-4-2/h3-7H,1-2H3/b5-3?,6-4?,8-7+
InChIKeyPSVNOQDVJFDFQR-OAWMMUNUSA-N
XLogP2.17
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500109.17
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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(E)-N-prop-2-enylbut-2-en-1-imine
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Frequently Asked Questions

What is the IUPAC name of N-prop-1-enylbut-2-en-1-imine?
The IUPAC name of N-prop-1-enylbut-2-en-1-imine (CID 91105383) is N-prop-1-enylbut-2-en-1-imine.
What is the SMILES notation for N-prop-1-enylbut-2-en-1-imine?
The canonical SMILES for N-prop-1-enylbut-2-en-1-imine is CC=C/C=N/C=CC.
What is the InChIKey of N-prop-1-enylbut-2-en-1-imine?
The InChIKey is PSVNOQDVJFDFQR-OAWMMUNUSA-N. The full InChI is InChI=1S/C7H11N/c1-3-5-7-8-6-4-2/h3-7H,1-2H3/b5-3?,6-4?,8-7+.
What are the key properties of N-prop-1-enylbut-2-en-1-imine?
N-prop-1-enylbut-2-en-1-imine has a molecular weight of 109.17 g/mol, XLogP of 2.17, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-1-enylbut-2-en-1-imine is sourced from PubChem (CID 91105383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).