N-cyclopenta-1,4-dien-1-ylethanimine

C7H9N — CID 123152583

IUPACN-cyclopenta-1,4-dien-1-ylethanimine
SMILESC/C=N/C1=CCC=C1
InChIInChI=1S/C7H9N/c1-2-8-7-5-3-4-6-7/h2-3,5-6H,4H2,1H3/b8-2+
InChIKeyFQDWFBHRKLHHJP-KRXBUXKQSA-N
MW107.16 g/mol
LogP1.92
Rot. Bonds1

About N-cyclopenta-1,4-dien-1-ylethanimine

N-cyclopenta-1,4-dien-1-ylethanimine (PubChem CID 123152583) has the molecular formula C7H9N and a molecular weight of 107.16 g/mol. Its IUPAC name is N-cyclopenta-1,4-dien-1-ylethanimine.

Molecular Properties

Compound NameN-cyclopenta-1,4-dien-1-ylethanimine
PubChem CID123152583
Molecular FormulaC7H9N
Molecular Weight107.16 g/mol
Exact Mass107.07
IUPAC NameN-cyclopenta-1,4-dien-1-ylethanimine
SMILESC/C=N/C1=CCC=C1
InChIInChI=1S/C7H9N/c1-2-8-7-5-3-4-6-7/h2-3,5-6H,4H2,1H3/b8-2+
InChIKeyFQDWFBHRKLHHJP-KRXBUXKQSA-N
XLogP1.92
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500107.16
LogP ≤ 51.92
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

N-cyclohexa-1,5-dien-1-ylethanimine
CID 123548682
cyclopenta-1,4-dien-1-yl(diethyl)phosphane
CID 137294143
N-(7-ethylcyclohepta-1,3,6-trien-1-yl)ethanimine
CID 178128673
(E)-3-cyclopenta-1,4-dien-1-yl-N-methylprop-2-en-1-imine
CID 23381955
cyclopenta-1,4-dien-1-yl(methyl)silane
CID 123753309
N-[(1E,4Z)-2,6-diethylcycloocta-1,4,6-trien-1-yl]ethanimine;ethane
CID 143345765
CID 173141588
CID 173141588
hafnium;2-propan-2-ylcyclopenta-1,3-diene
CID 175311105
2-but-1-enylcyclopenta-1,3-diene
CID 73196654
ethane;2-prop-2-enylcyclopenta-1,3-diene
CID 142584278
cyclopenta-1,4-dien-1-yl(diphenyl)phosphane
CID 3524393
N-[3-[(Z)-prop-1-enyl]cyclohepta-1,4,6-trien-1-yl]ethanimine
CID 142019218

Frequently Asked Questions

What is the IUPAC name of N-cyclopenta-1,4-dien-1-ylethanimine?
The IUPAC name of N-cyclopenta-1,4-dien-1-ylethanimine (CID 123152583) is N-cyclopenta-1,4-dien-1-ylethanimine.
What is the SMILES notation for N-cyclopenta-1,4-dien-1-ylethanimine?
The canonical SMILES for N-cyclopenta-1,4-dien-1-ylethanimine is C/C=N/C1=CCC=C1.
What is the InChIKey of N-cyclopenta-1,4-dien-1-ylethanimine?
The InChIKey is FQDWFBHRKLHHJP-KRXBUXKQSA-N. The full InChI is InChI=1S/C7H9N/c1-2-8-7-5-3-4-6-7/h2-3,5-6H,4H2,1H3/b8-2+.
What are the key properties of N-cyclopenta-1,4-dien-1-ylethanimine?
N-cyclopenta-1,4-dien-1-ylethanimine has a molecular weight of 107.16 g/mol, XLogP of 1.92, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopenta-1,4-dien-1-ylethanimine is sourced from PubChem (CID 123152583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).