N-ethylcyclopent-3-en-1-imine

C7H11N — CID 90873659

IUPACN-ethylcyclopent-3-en-1-imine
SMILESCCN=C1CC=CC1
InChIInChI=1S/C7H11N/c1-2-8-7-5-3-4-6-7/h3-4H,2,5-6H2,1H3
InChIKeyOTGBZTXJNCNNCE-UHFFFAOYSA-N
MW109.17 g/mol
LogP1.80
Rot. Bonds1

About N-ethylcyclopent-3-en-1-imine

N-ethylcyclopent-3-en-1-imine (PubChem CID 90873659) has the molecular formula C7H11N and a molecular weight of 109.17 g/mol. Its IUPAC name is N-ethylcyclopent-3-en-1-imine.

Molecular Properties

Compound NameN-ethylcyclopent-3-en-1-imine
PubChem CID90873659
Molecular FormulaC7H11N
Molecular Weight109.17 g/mol
Exact Mass109.09
IUPAC NameN-ethylcyclopent-3-en-1-imine
SMILESCCN=C1CC=CC1
InChIInChI=1S/C7H11N/c1-2-8-7-5-3-4-6-7/h3-4H,2,5-6H2,1H3
InChIKeyOTGBZTXJNCNNCE-UHFFFAOYSA-N
XLogP1.80
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500109.17
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

6-Ethyl-2,3-dihydropyridine
CID 58693567
5-Ethenyl-4-ethylidene-2,3-dihydropyrrole
CID 90829219
5-[(E)-hept-1-enyl]-3,4-dihydro-2H-pyrrole
CID 71531028
5-propan-2-yl-2H-pyrrole
CID 18736790
N-methylcyclohex-2-en-1-imine
CID 20718417
5-ethyl-2H-pyrrole
CID 20725724
5-ethyl-3-methyl-2H-pyrrole
CID 20748859
5-ethyl-1-methyl-2H-pyrrol-1-ium
CID 20749702
6-Methyl-2,5-dihydropyridine
CID 56607220
N-methylcyclohex-3-en-1-imine
CID 56975694
N-methylcyclopent-3-en-1-imine
CID 57004337
N-prop-2-enylcyclopent-3-en-1-imine
CID 57285270

Frequently Asked Questions

What is the IUPAC name of N-ethylcyclopent-3-en-1-imine?
The IUPAC name of N-ethylcyclopent-3-en-1-imine (CID 90873659) is N-ethylcyclopent-3-en-1-imine.
What is the SMILES notation for N-ethylcyclopent-3-en-1-imine?
The canonical SMILES for N-ethylcyclopent-3-en-1-imine is CCN=C1CC=CC1.
What is the InChIKey of N-ethylcyclopent-3-en-1-imine?
The InChIKey is OTGBZTXJNCNNCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N/c1-2-8-7-5-3-4-6-7/h3-4H,2,5-6H2,1H3.
What are the key properties of N-ethylcyclopent-3-en-1-imine?
N-ethylcyclopent-3-en-1-imine has a molecular weight of 109.17 g/mol, XLogP of 1.80, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethylcyclopent-3-en-1-imine is sourced from PubChem (CID 90873659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).