cyclopent-3-en-1-ylmethanamine

C6H11N — CID 23365036

IUPACcyclopent-3-en-1-ylmethanamine
SMILESNCC1CC=CC1
InChIInChI=1S/C6H11N/c7-5-6-3-1-2-4-6/h1-2,6H,3-5,7H2
InChIKeyMKLFRAVVYRKTRH-UHFFFAOYSA-N
MW97.16 g/mol
LogP0.91
Rot. Bonds1

About cyclopent-3-en-1-ylmethanamine

cyclopent-3-en-1-ylmethanamine (PubChem CID 23365036) has the molecular formula C6H11N and a molecular weight of 97.16 g/mol. Its IUPAC name is cyclopent-3-en-1-ylmethanamine.

Molecular Properties

Compound Namecyclopent-3-en-1-ylmethanamine
PubChem CID23365036
Molecular FormulaC6H11N
Molecular Weight97.16 g/mol
Exact Mass97.09
IUPAC Namecyclopent-3-en-1-ylmethanamine
SMILESNCC1CC=CC1
InChIInChI=1S/C6H11N/c7-5-6-3-1-2-4-6/h1-2,6H,3-5,7H2
InChIKeyMKLFRAVVYRKTRH-UHFFFAOYSA-N
XLogP0.91
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50097.16
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of cyclopent-3-en-1-ylmethanamine?
The IUPAC name of cyclopent-3-en-1-ylmethanamine (CID 23365036) is cyclopent-3-en-1-ylmethanamine.
What is the SMILES notation for cyclopent-3-en-1-ylmethanamine?
The canonical SMILES for cyclopent-3-en-1-ylmethanamine is NCC1CC=CC1.
What is the InChIKey of cyclopent-3-en-1-ylmethanamine?
The InChIKey is MKLFRAVVYRKTRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N/c7-5-6-3-1-2-4-6/h1-2,6H,3-5,7H2.
What are the key properties of cyclopent-3-en-1-ylmethanamine?
cyclopent-3-en-1-ylmethanamine has a molecular weight of 97.16 g/mol, XLogP of 0.91, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopent-3-en-1-ylmethanamine is sourced from PubChem (CID 23365036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).