1,10-diazaspiro[4.6]undec-7-en-11-one;hydrochloride

C9H15ClN2O — CID 139371929

IUPAC1,10-diazaspiro[4.6]undec-7-en-11-one;hydrochloride
SMILESCl.O=C1NCC=CCC12CCCN2
InChIInChI=1S/C9H14N2O.ClH/c12-8-9(5-3-7-11-9)4-1-2-6-10-8;/h1-2,11H,3-7H2,(H,10,12);1H
InChIKeyRNFGQGZMZZVDFC-UHFFFAOYSA-N
MW202.68 g/mol
LogP0.61
Rot. Bonds

About 1,10-diazaspiro[4.6]undec-7-en-11-one;hydrochloride

1,10-diazaspiro[4.6]undec-7-en-11-one;hydrochloride (PubChem CID 139371929) has the molecular formula C9H15ClN2O and a molecular weight of 202.68 g/mol. Its IUPAC name is 1,10-diazaspiro[4.6]undec-7-en-11-one;hydrochloride.

Molecular Properties

Compound Name1,10-diazaspiro[4.6]undec-7-en-11-one;hydrochloride
PubChem CID139371929
Molecular FormulaC9H15ClN2O
Molecular Weight202.68 g/mol
Exact Mass202.09
IUPAC Name1,10-diazaspiro[4.6]undec-7-en-11-one;hydrochloride
SMILESCl.O=C1NCC=CCC12CCCN2
InChIInChI=1S/C9H14N2O.ClH/c12-8-9(5-3-7-11-9)4-1-2-6-10-8;/h1-2,11H,3-7H2,(H,10,12);1H
InChIKeyRNFGQGZMZZVDFC-UHFFFAOYSA-N
XLogP0.61
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.68
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-fluorocyclohex-3-en-1-yl)methyl]pyrrolidine-2-carboxamide
CID 172877858
3,3-Difluoro-1,10-diazaspiro[4.6]undec-7-en-11-one
CID 139371875
1,10-Diazaspiro[4.6]undec-7-en-11-one;2,2,2-trifluoroacetaldehyde
CID 139371919
1-(2,2,2-Trifluoroacetyl)-1,10-diazaspiro[4.6]undec-7-en-11-one
CID 139371920
(2R)-N,N-dimethyl-2-prop-2-enylpyrrolidine-2-carboxamide
CID 154720748
N-[2-(tert-butylamino)-2-oxoethyl]-2-cyclopent-2-en-1-ylacetamide
CID 18153592
1,10-Diazaspiro[4.6]undec-7-en-11-one
CID 86063184
10-Methyl-1,10-diazaspiro[4.6]undec-7-en-11-one
CID 86063202
N-cyclohex-2-en-1-ylpyrrolidine-2-carboxamide
CID 130689559
(5R)-1,7-diazaspiro[4.6]undec-9-en-6-one
CID 131135967
(5R)-10-methyl-1,10-diazaspiro[4.6]undec-7-en-11-one
CID 131213590
2-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-N,N-dimethylpyrrolidine-2-carboxamide
CID 138702196

Frequently Asked Questions

What is the IUPAC name of 1,10-diazaspiro[4.6]undec-7-en-11-one;hydrochloride?
The IUPAC name of 1,10-diazaspiro[4.6]undec-7-en-11-one;hydrochloride (CID 139371929) is 1,10-diazaspiro[4.6]undec-7-en-11-one;hydrochloride.
What is the SMILES notation for 1,10-diazaspiro[4.6]undec-7-en-11-one;hydrochloride?
The canonical SMILES for 1,10-diazaspiro[4.6]undec-7-en-11-one;hydrochloride is Cl.O=C1NCC=CCC12CCCN2.
What is the InChIKey of 1,10-diazaspiro[4.6]undec-7-en-11-one;hydrochloride?
The InChIKey is RNFGQGZMZZVDFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O.ClH/c12-8-9(5-3-7-11-9)4-1-2-6-10-8;/h1-2,11H,3-7H2,(H,10,12);1H.
What are the key properties of 1,10-diazaspiro[4.6]undec-7-en-11-one;hydrochloride?
1,10-diazaspiro[4.6]undec-7-en-11-one;hydrochloride has a molecular weight of 202.68 g/mol, XLogP of 0.61, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,10-diazaspiro[4.6]undec-7-en-11-one;hydrochloride is sourced from PubChem (CID 139371929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).