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

C10H16N2O — CID 139371628

IUPAC1-methyl-1,10-diazaspiro[4.6]undec-7-en-11-one
SMILESCN1CCCC12CC=CCNC2=O
InChIInChI=1S/C10H16N2O/c1-12-8-4-6-10(12)5-2-3-7-11-9(10)13/h2-3H,4-8H2,1H3,(H,11,13)
InChIKeyNPSOSEQIDSDBBF-UHFFFAOYSA-N
MW180.25 g/mol
LogP0.53
Rot. Bonds

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

1-methyl-1,10-diazaspiro[4.6]undec-7-en-11-one (PubChem CID 139371628) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is 1-methyl-1,10-diazaspiro[4.6]undec-7-en-11-one.

Molecular Properties

Compound Name1-methyl-1,10-diazaspiro[4.6]undec-7-en-11-one
PubChem CID139371628
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name1-methyl-1,10-diazaspiro[4.6]undec-7-en-11-one
SMILESCN1CCCC12CC=CCNC2=O
InChIInChI=1S/C10H16N2O/c1-12-8-4-6-10(12)5-2-3-7-11-9(10)13/h2-3H,4-8H2,1H3,(H,11,13)
InChIKeyNPSOSEQIDSDBBF-UHFFFAOYSA-N
XLogP0.53
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-acetyl-N-methyl-5-(2-methylpropyl)-2H-pyrrole-5-carboxamide
CID 5459653
N-[(E)-8-amino-2-methyl-8-oxooct-5-en-4-yl]-5-oxopyrrolidine-2-carboxamide
CID 44386090
N-[(4-fluorocyclohex-3-en-1-yl)methyl]pyrrolidine-2-carboxamide
CID 172877858
1-acetyl-N-(cyclopropylmethyl)-5-(2-methylpropyl)-2H-pyrrole-5-carboxamide
CID 5459652
Tert-butyl 3,3-difluoro-11-oxo-1,10-diazaspiro[4.6]undec-7-ene-1-carboxylate
CID 139371742
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
(1R,3S,5S)-N-[(2S)-3-fluoro-4-methylpent-3-en-2-yl]-5-methyl-2-azabicyclo[3.2.0]hept-6-ene-3-carboxamide
CID 156837616
(1R,6S)-N-ethyl-9-azatricyclo[4.3.0.02,9]non-3-ene-1-carboxamide
CID 132524255
(5S)-10-methyl-1,10-diazaspiro[4.6]undec-8-en-11-one
CID 134842991
(2R)-N,N-dimethyl-2-prop-2-enylpyrrolidine-2-carboxamide
CID 154720748

Frequently Asked Questions

What is the IUPAC name of 1-methyl-1,10-diazaspiro[4.6]undec-7-en-11-one?
The IUPAC name of 1-methyl-1,10-diazaspiro[4.6]undec-7-en-11-one (CID 139371628) is 1-methyl-1,10-diazaspiro[4.6]undec-7-en-11-one.
What is the SMILES notation for 1-methyl-1,10-diazaspiro[4.6]undec-7-en-11-one?
The canonical SMILES for 1-methyl-1,10-diazaspiro[4.6]undec-7-en-11-one is CN1CCCC12CC=CCNC2=O.
What is the InChIKey of 1-methyl-1,10-diazaspiro[4.6]undec-7-en-11-one?
The InChIKey is NPSOSEQIDSDBBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O/c1-12-8-4-6-10(12)5-2-3-7-11-9(10)13/h2-3H,4-8H2,1H3,(H,11,13).
What are the key properties of 1-methyl-1,10-diazaspiro[4.6]undec-7-en-11-one?
1-methyl-1,10-diazaspiro[4.6]undec-7-en-11-one has a molecular weight of 180.25 g/mol, XLogP of 0.53, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1,10-diazaspiro[4.6]undec-7-en-11-one is sourced from PubChem (CID 139371628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).