N-prop-2-enylcyclopentanimine

C8H13N — CID 14644144

IUPACN-prop-2-enylcyclopentanimine
SMILESC=CCN=C1CCCC1
InChIInChI=1S/C8H13N/c1-2-7-9-8-5-3-4-6-8/h2H,1,3-7H2
InChIKeyMQLXFGQCHCMVLL-UHFFFAOYSA-N
MW123.20 g/mol
LogP2.19
Rot. Bonds2

About N-prop-2-enylcyclopentanimine

N-prop-2-enylcyclopentanimine (PubChem CID 14644144) has the molecular formula C8H13N and a molecular weight of 123.20 g/mol. Its IUPAC name is N-prop-2-enylcyclopentanimine.

Molecular Properties

Compound NameN-prop-2-enylcyclopentanimine
PubChem CID14644144
Molecular FormulaC8H13N
Molecular Weight123.20 g/mol
Exact Mass123.10
IUPAC NameN-prop-2-enylcyclopentanimine
SMILESC=CCN=C1CCCC1
InChIInChI=1S/C8H13N/c1-2-7-9-8-5-3-4-6-8/h2H,1,3-7H2
InChIKeyMQLXFGQCHCMVLL-UHFFFAOYSA-N
XLogP2.19
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.20
LogP ≤ 52.19
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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Frequently Asked Questions

What is the IUPAC name of N-prop-2-enylcyclopentanimine?
The IUPAC name of N-prop-2-enylcyclopentanimine (CID 14644144) is N-prop-2-enylcyclopentanimine.
What is the SMILES notation for N-prop-2-enylcyclopentanimine?
The canonical SMILES for N-prop-2-enylcyclopentanimine is C=CCN=C1CCCC1.
What is the InChIKey of N-prop-2-enylcyclopentanimine?
The InChIKey is MQLXFGQCHCMVLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N/c1-2-7-9-8-5-3-4-6-8/h2H,1,3-7H2.
What are the key properties of N-prop-2-enylcyclopentanimine?
N-prop-2-enylcyclopentanimine has a molecular weight of 123.20 g/mol, XLogP of 2.19, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-enylcyclopentanimine is sourced from PubChem (CID 14644144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).