ethyl cyclopentanecarboximidate;hydrochloride

C8H16ClNO — CID 11412690

IUPACethyl cyclopentanecarboximidate;hydrochloride
SMILESCl.[H]/N=C(\OCC)C1CCCC1
InChIInChI=1S/C8H15NO.ClH/c1-2-10-8(9)7-5-3-4-6-7;/h7,9H,2-6H2,1H3;1H/b9-8-;
InChIKeyPQHDLWLGXDSLKP-UOQXYWCXSA-N
MW177.67 g/mol
LogP2.61
Rot. Bonds2

About ethyl cyclopentanecarboximidate;hydrochloride

ethyl cyclopentanecarboximidate;hydrochloride (PubChem CID 11412690) has the molecular formula C8H16ClNO and a molecular weight of 177.67 g/mol. Its IUPAC name is ethyl cyclopentanecarboximidate;hydrochloride.

Molecular Properties

Compound Nameethyl cyclopentanecarboximidate;hydrochloride
PubChem CID11412690
Molecular FormulaC8H16ClNO
Molecular Weight177.67 g/mol
Exact Mass177.09
IUPAC Nameethyl cyclopentanecarboximidate;hydrochloride
SMILESCl.[H]/N=C(\OCC)C1CCCC1
InChIInChI=1S/C8H15NO.ClH/c1-2-10-8(9)7-5-3-4-6-7;/h7,9H,2-6H2,1H3;1H/b9-8-;
InChIKeyPQHDLWLGXDSLKP-UOQXYWCXSA-N
XLogP2.61
TPSA33.08 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.67
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl cyclopentanecarboximidate;hydrochloride?
The IUPAC name of ethyl cyclopentanecarboximidate;hydrochloride (CID 11412690) is ethyl cyclopentanecarboximidate;hydrochloride.
What is the SMILES notation for ethyl cyclopentanecarboximidate;hydrochloride?
The canonical SMILES for ethyl cyclopentanecarboximidate;hydrochloride is Cl.[H]/N=C(\OCC)C1CCCC1.
What is the InChIKey of ethyl cyclopentanecarboximidate;hydrochloride?
The InChIKey is PQHDLWLGXDSLKP-UOQXYWCXSA-N. The full InChI is InChI=1S/C8H15NO.ClH/c1-2-10-8(9)7-5-3-4-6-7;/h7,9H,2-6H2,1H3;1H/b9-8-;.
What are the key properties of ethyl cyclopentanecarboximidate;hydrochloride?
ethyl cyclopentanecarboximidate;hydrochloride has a molecular weight of 177.67 g/mol, XLogP of 2.61, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl cyclopentanecarboximidate;hydrochloride is sourced from PubChem (CID 11412690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).