(4-aminocyclopent-2-en-1-yl) formate;hydrochloride

C6H10ClNO2 — CID 88735244

IUPAC(4-aminocyclopent-2-en-1-yl) formate;hydrochloride
SMILESCl.NC1C=CC(OC=O)C1
InChIInChI=1S/C6H9NO2.ClH/c7-5-1-2-6(3-5)9-4-8;/h1-2,4-6H,3,7H2;1H
InChIKeyKSUNFUSPNFQYRH-UHFFFAOYSA-N
MW163.60 g/mol
LogP0.24
Rot. Bonds2

About (4-aminocyclopent-2-en-1-yl) formate;hydrochloride

(4-aminocyclopent-2-en-1-yl) formate;hydrochloride (PubChem CID 88735244) has the molecular formula C6H10ClNO2 and a molecular weight of 163.60 g/mol. Its IUPAC name is (4-aminocyclopent-2-en-1-yl) formate;hydrochloride.

Molecular Properties

Compound Name(4-aminocyclopent-2-en-1-yl) formate;hydrochloride
PubChem CID88735244
Molecular FormulaC6H10ClNO2
Molecular Weight163.60 g/mol
Exact Mass163.04
IUPAC Name(4-aminocyclopent-2-en-1-yl) formate;hydrochloride
SMILESCl.NC1C=CC(OC=O)C1
InChIInChI=1S/C6H9NO2.ClH/c7-5-1-2-6(3-5)9-4-8;/h1-2,4-6H,3,7H2;1H
InChIKeyKSUNFUSPNFQYRH-UHFFFAOYSA-N
XLogP0.24
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.60
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4-aminocyclopent-2-en-1-yl) formate;hydrochloride?
The IUPAC name of (4-aminocyclopent-2-en-1-yl) formate;hydrochloride (CID 88735244) is (4-aminocyclopent-2-en-1-yl) formate;hydrochloride.
What is the SMILES notation for (4-aminocyclopent-2-en-1-yl) formate;hydrochloride?
The canonical SMILES for (4-aminocyclopent-2-en-1-yl) formate;hydrochloride is Cl.NC1C=CC(OC=O)C1.
What is the InChIKey of (4-aminocyclopent-2-en-1-yl) formate;hydrochloride?
The InChIKey is KSUNFUSPNFQYRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO2.ClH/c7-5-1-2-6(3-5)9-4-8;/h1-2,4-6H,3,7H2;1H.
What are the key properties of (4-aminocyclopent-2-en-1-yl) formate;hydrochloride?
(4-aminocyclopent-2-en-1-yl) formate;hydrochloride has a molecular weight of 163.60 g/mol, XLogP of 0.24, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-aminocyclopent-2-en-1-yl) formate;hydrochloride is sourced from PubChem (CID 88735244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).