N-[(Z)-prop-1-enyl]buta-2,3-dien-1-imine

C7H9N — CID 89125138

IUPACN-[(Z)-prop-1-enyl]buta-2,3-dien-1-imine
SMILESC=C=C/C=N/C=C\C
InChIInChI=1S/C7H9N/c1-3-5-7-8-6-4-2/h4-7H,1H2,2H3/b6-4-,8-7+
InChIKeyYATJEYHRCIZMMI-IQTBQJLQSA-N
MW107.16 g/mol
LogP1.93
Rot. Bonds2

About N-[(Z)-prop-1-enyl]buta-2,3-dien-1-imine

N-[(Z)-prop-1-enyl]buta-2,3-dien-1-imine (PubChem CID 89125138) has the molecular formula C7H9N and a molecular weight of 107.16 g/mol. Its IUPAC name is N-[(Z)-prop-1-enyl]buta-2,3-dien-1-imine.

Molecular Properties

Compound NameN-[(Z)-prop-1-enyl]buta-2,3-dien-1-imine
PubChem CID89125138
Molecular FormulaC7H9N
Molecular Weight107.16 g/mol
Exact Mass107.07
IUPAC NameN-[(Z)-prop-1-enyl]buta-2,3-dien-1-imine
SMILESC=C=C/C=N/C=C\C
InChIInChI=1S/C7H9N/c1-3-5-7-8-6-4-2/h4-7H,1H2,2H3/b6-4-,8-7+
InChIKeyYATJEYHRCIZMMI-IQTBQJLQSA-N
XLogP1.93
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500107.16
LogP ≤ 51.93
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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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-prop-1-enyl]buta-2,3-dien-1-imine?
The IUPAC name of N-[(Z)-prop-1-enyl]buta-2,3-dien-1-imine (CID 89125138) is N-[(Z)-prop-1-enyl]buta-2,3-dien-1-imine.
What is the SMILES notation for N-[(Z)-prop-1-enyl]buta-2,3-dien-1-imine?
The canonical SMILES for N-[(Z)-prop-1-enyl]buta-2,3-dien-1-imine is C=C=C/C=N/C=C\C.
What is the InChIKey of N-[(Z)-prop-1-enyl]buta-2,3-dien-1-imine?
The InChIKey is YATJEYHRCIZMMI-IQTBQJLQSA-N. The full InChI is InChI=1S/C7H9N/c1-3-5-7-8-6-4-2/h4-7H,1H2,2H3/b6-4-,8-7+.
What are the key properties of N-[(Z)-prop-1-enyl]buta-2,3-dien-1-imine?
N-[(Z)-prop-1-enyl]buta-2,3-dien-1-imine has a molecular weight of 107.16 g/mol, XLogP of 1.93, 2 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]buta-2,3-dien-1-imine is sourced from PubChem (CID 89125138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).