[2-[(E)-1-chloroprop-1-enyl]cyclopenten-1-yl]-methoxyazanium

C9H15ClNO+ — CID 145273824

IUPAC[2-[(E)-1-chloroprop-1-enyl]cyclopenten-1-yl]-methoxyazanium
SMILESC/C=C(/Cl)C1=C([NH2+]OC)CCC1
InChIInChI=1S/C9H14ClNO/c1-3-8(10)7-5-4-6-9(7)11-12-2/h3,11H,4-6H2,1-2H3/p+1/b8-3+
InChIKeyFTYPTFWOYYBIEF-FPYGCLRLSA-O
MW188.68 g/mol
LogP1.69
Rot. Bonds3

About [2-[(E)-1-chloroprop-1-enyl]cyclopenten-1-yl]-methoxyazanium

[2-[(E)-1-chloroprop-1-enyl]cyclopenten-1-yl]-methoxyazanium (PubChem CID 145273824) has the molecular formula C9H15ClNO+ and a molecular weight of 188.68 g/mol. Its IUPAC name is [2-[(E)-1-chloroprop-1-enyl]cyclopenten-1-yl]-methoxyazanium.

Molecular Properties

Compound Name[2-[(E)-1-chloroprop-1-enyl]cyclopenten-1-yl]-methoxyazanium
PubChem CID145273824
Molecular FormulaC9H15ClNO+
Molecular Weight188.68 g/mol
Exact Mass188.08
IUPAC Name[2-[(E)-1-chloroprop-1-enyl]cyclopenten-1-yl]-methoxyazanium
SMILESC/C=C(/Cl)C1=C([NH2+]OC)CCC1
InChIInChI=1S/C9H14ClNO/c1-3-8(10)7-5-4-6-9(7)11-12-2/h3,11H,4-6H2,1-2H3/p+1/b8-3+
InChIKeyFTYPTFWOYYBIEF-FPYGCLRLSA-O
XLogP1.69
TPSA25.84 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.68
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2-[(E)-1-chloroprop-1-enyl]cyclopenten-1-yl]-methoxyazanium?
The IUPAC name of [2-[(E)-1-chloroprop-1-enyl]cyclopenten-1-yl]-methoxyazanium (CID 145273824) is [2-[(E)-1-chloroprop-1-enyl]cyclopenten-1-yl]-methoxyazanium.
What is the SMILES notation for [2-[(E)-1-chloroprop-1-enyl]cyclopenten-1-yl]-methoxyazanium?
The canonical SMILES for [2-[(E)-1-chloroprop-1-enyl]cyclopenten-1-yl]-methoxyazanium is C/C=C(/Cl)C1=C([NH2+]OC)CCC1.
What is the InChIKey of [2-[(E)-1-chloroprop-1-enyl]cyclopenten-1-yl]-methoxyazanium?
The InChIKey is FTYPTFWOYYBIEF-FPYGCLRLSA-O. The full InChI is InChI=1S/C9H14ClNO/c1-3-8(10)7-5-4-6-9(7)11-12-2/h3,11H,4-6H2,1-2H3/p+1/b8-3+.
What are the key properties of [2-[(E)-1-chloroprop-1-enyl]cyclopenten-1-yl]-methoxyazanium?
[2-[(E)-1-chloroprop-1-enyl]cyclopenten-1-yl]-methoxyazanium has a molecular weight of 188.68 g/mol, XLogP of 1.69, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(E)-1-chloroprop-1-enyl]cyclopenten-1-yl]-methoxyazanium is sourced from PubChem (CID 145273824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).