2-propylcyclopent-2-en-1-imine

C8H13N — CID 91165692

IUPAC2-propylcyclopent-2-en-1-imine
SMILES[H]/N=C1\CCC=C1CCC
InChIInChI=1S/C8H13N/c1-2-4-7-5-3-6-8(7)9/h5,9H,2-4,6H2,1H3/b9-8+
InChIKeyXUKMWVJARTUOFH-CMDGGOBGSA-N
MW123.20 g/mol
LogP2.53
Rot. Bonds2

About 2-propylcyclopent-2-en-1-imine

2-propylcyclopent-2-en-1-imine (PubChem CID 91165692) has the molecular formula C8H13N and a molecular weight of 123.20 g/mol. Its IUPAC name is 2-propylcyclopent-2-en-1-imine.

Molecular Properties

Compound Name2-propylcyclopent-2-en-1-imine
PubChem CID91165692
Molecular FormulaC8H13N
Molecular Weight123.20 g/mol
Exact Mass123.10
IUPAC Name2-propylcyclopent-2-en-1-imine
SMILES[H]/N=C1\CCC=C1CCC
InChIInChI=1S/C8H13N/c1-2-4-7-5-3-6-8(7)9/h5,9H,2-4,6H2,1H3/b9-8+
InChIKeyXUKMWVJARTUOFH-CMDGGOBGSA-N
XLogP2.53
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.20
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

6,10,15,19,23-Pentamethyltetracosa-6,10,14,18,22-pentaen-2-imine
CID 53649182
3-Methyl-2-cyclopentenimine
CID 91232431
(Z)-1-(cyclohexen-1-yl)ethylidenehydrazine
CID 135062773
Ethylcyclopentenimine
CID 149143293
2-Ethylidenecyclohexan-1-imine
CID 14026307
2-Butyl-3,5-dimethylcyclohexa-2,5-diene-1,4-diimine
CID 18620279
(2E)-2-ethylidenecyclohexan-1-imine
CID 20159053
6-Methyl-3-propan-2-ylidenehept-5-en-2-imine
CID 21319963
(2E)-2-propylidenecyclohexan-1-imine
CID 21514603
2,5-Dimethylcyclohexa-2,4-dien-1-imine
CID 23530554
Cyclooct-2-en-1-imine
CID 53431175
2-Ethyl-4-methylcyclohex-2-en-1-imine
CID 57087859

Frequently Asked Questions

What is the IUPAC name of 2-propylcyclopent-2-en-1-imine?
The IUPAC name of 2-propylcyclopent-2-en-1-imine (CID 91165692) is 2-propylcyclopent-2-en-1-imine.
What is the SMILES notation for 2-propylcyclopent-2-en-1-imine?
The canonical SMILES for 2-propylcyclopent-2-en-1-imine is [H]/N=C1\CCC=C1CCC.
What is the InChIKey of 2-propylcyclopent-2-en-1-imine?
The InChIKey is XUKMWVJARTUOFH-CMDGGOBGSA-N. The full InChI is InChI=1S/C8H13N/c1-2-4-7-5-3-6-8(7)9/h5,9H,2-4,6H2,1H3/b9-8+.
What are the key properties of 2-propylcyclopent-2-en-1-imine?
2-propylcyclopent-2-en-1-imine has a molecular weight of 123.20 g/mol, XLogP of 2.53, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propylcyclopent-2-en-1-imine is sourced from PubChem (CID 91165692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).