2-imino-4-methyl-1-oxaspiro[4.5]dec-3-ene-3-carboxamide;hydrochloride

C11H17ClN2O2 — CID 25180766

IUPAC2-imino-4-methyl-1-oxaspiro[4.5]dec-3-ene-3-carboxamide;hydrochloride
SMILESCl.[H]/N=C1\OC2(CCCCC2)C(C)=C1C(N)=O
InChIInChI=1S/C11H16N2O2.ClH/c1-7-8(9(12)14)10(13)15-11(7)5-3-2-4-6-11;/h13H,2-6H2,1H3,(H2,12,14);1H/b13-10-;
InChIKeyRKYRPBNQRILHCA-ALUHPYBCSA-N
MW244.72 g/mol
LogP1.92
Rot. Bonds1

About 2-imino-4-methyl-1-oxaspiro[4.5]dec-3-ene-3-carboxamide;hydrochloride

2-imino-4-methyl-1-oxaspiro[4.5]dec-3-ene-3-carboxamide;hydrochloride (PubChem CID 25180766) has the molecular formula C11H17ClN2O2 and a molecular weight of 244.72 g/mol. Its IUPAC name is 2-imino-4-methyl-1-oxaspiro[4.5]dec-3-ene-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name2-imino-4-methyl-1-oxaspiro[4.5]dec-3-ene-3-carboxamide;hydrochloride
PubChem CID25180766
Molecular FormulaC11H17ClN2O2
Molecular Weight244.72 g/mol
Exact Mass244.10
IUPAC Name2-imino-4-methyl-1-oxaspiro[4.5]dec-3-ene-3-carboxamide;hydrochloride
SMILESCl.[H]/N=C1\OC2(CCCCC2)C(C)=C1C(N)=O
InChIInChI=1S/C11H16N2O2.ClH/c1-7-8(9(12)14)10(13)15-11(7)5-3-2-4-6-11;/h13H,2-6H2,1H3,(H2,12,14);1H/b13-10-;
InChIKeyRKYRPBNQRILHCA-ALUHPYBCSA-N
XLogP1.92
TPSA76.17 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.72
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-imino-4-methyl-1-oxaspiro[4.5]dec-3-ene-3-carboxamide;hydrochloride?
The IUPAC name of 2-imino-4-methyl-1-oxaspiro[4.5]dec-3-ene-3-carboxamide;hydrochloride (CID 25180766) is 2-imino-4-methyl-1-oxaspiro[4.5]dec-3-ene-3-carboxamide;hydrochloride.
What is the SMILES notation for 2-imino-4-methyl-1-oxaspiro[4.5]dec-3-ene-3-carboxamide;hydrochloride?
The canonical SMILES for 2-imino-4-methyl-1-oxaspiro[4.5]dec-3-ene-3-carboxamide;hydrochloride is Cl.[H]/N=C1\OC2(CCCCC2)C(C)=C1C(N)=O.
What is the InChIKey of 2-imino-4-methyl-1-oxaspiro[4.5]dec-3-ene-3-carboxamide;hydrochloride?
The InChIKey is RKYRPBNQRILHCA-ALUHPYBCSA-N. The full InChI is InChI=1S/C11H16N2O2.ClH/c1-7-8(9(12)14)10(13)15-11(7)5-3-2-4-6-11;/h13H,2-6H2,1H3,(H2,12,14);1H/b13-10-;.
What are the key properties of 2-imino-4-methyl-1-oxaspiro[4.5]dec-3-ene-3-carboxamide;hydrochloride?
2-imino-4-methyl-1-oxaspiro[4.5]dec-3-ene-3-carboxamide;hydrochloride has a molecular weight of 244.72 g/mol, XLogP of 1.92, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imino-4-methyl-1-oxaspiro[4.5]dec-3-ene-3-carboxamide;hydrochloride is sourced from PubChem (CID 25180766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).