8-(cyclopenten-1-yl)-8-(dimethylamino)-2-azaspiro[4.5]decan-1-one

C16H26N2O — CID 118662121

IUPAC8-(cyclopenten-1-yl)-8-(dimethylamino)-2-azaspiro[4.5]decan-1-one
SMILESCN(C)C1(C2=CCCC2)CCC2(CCNC2=O)CC1
InChIInChI=1S/C16H26N2O/c1-18(2)16(13-5-3-4-6-13)9-7-15(8-10-16)11-12-17-14(15)19/h5H,3-4,6-12H2,1-2H3,(H,17,19)
InChIKeyMLAQDMZUBJLUGI-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.48
Rot. Bonds2

About 8-(cyclopenten-1-yl)-8-(dimethylamino)-2-azaspiro[4.5]decan-1-one

8-(cyclopenten-1-yl)-8-(dimethylamino)-2-azaspiro[4.5]decan-1-one (PubChem CID 118662121) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 8-(cyclopenten-1-yl)-8-(dimethylamino)-2-azaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name8-(cyclopenten-1-yl)-8-(dimethylamino)-2-azaspiro[4.5]decan-1-one
PubChem CID118662121
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name8-(cyclopenten-1-yl)-8-(dimethylamino)-2-azaspiro[4.5]decan-1-one
SMILESCN(C)C1(C2=CCCC2)CCC2(CCNC2=O)CC1
InChIInChI=1S/C16H26N2O/c1-18(2)16(13-5-3-4-6-13)9-7-15(8-10-16)11-12-17-14(15)19/h5H,3-4,6-12H2,1-2H3,(H,17,19)
InChIKeyMLAQDMZUBJLUGI-UHFFFAOYSA-N
XLogP2.48
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.48
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

(3S)-8-amino-3-methyl-2-(3-methylidenecyclohexen-1-yl)-2-azaspiro[4.5]decan-1-one
CID 118234281
8-Amino-8-methyl-2-(2-methyl-3-methylidenecyclohexen-1-yl)-2-azaspiro[4.5]decan-1-one
CID 118234282
(3R)-8-amino-3-methyl-2-(3-methylidenecyclohexen-1-yl)-2-azaspiro[4.5]decan-1-one
CID 118234389
8-Amino-2-(3-methylidenecyclohexen-1-yl)-2-azaspiro[4.5]decan-1-one
CID 118234391
(3R)-8-amino-3-methyl-2-(2-methyl-3-methylidenecyclohexen-1-yl)-2-azaspiro[4.5]decan-1-one
CID 118234401
2-(3-Aminopropyl)-8-cyclohexa-1,5-dien-1-yl-8-(dimethylamino)-2-azaspiro[4.5]decan-3-one
CID 144998227
8-Cyclohexa-1,5-dien-1-yl-8-(dimethylamino)-2-azaspiro[4.5]decan-3-one
CID 144998270
2-[1-(aminomethyl)cyclohexyl]-N-[2-(cyclopenten-1-yl)ethyl]acetamide
CID 106175362
4-(Cyclohexen-1-yl)-4-methylpyrrolidin-2-one
CID 130007066
1-methyl-N-(2-oxo-1-prop-2-enyl-1-azaspiro[4.5]decan-8-yl)cyclohex-3-ene-1-carboxamide
CID 155870100
(1S,5S,7S)-5-amino-3-ethylspiro[bicyclo[3.2.0]hept-2-ene-7,4'-pyrrolidine]-2'-one
CID 175675555

Frequently Asked Questions

What is the IUPAC name of 8-(cyclopenten-1-yl)-8-(dimethylamino)-2-azaspiro[4.5]decan-1-one?
The IUPAC name of 8-(cyclopenten-1-yl)-8-(dimethylamino)-2-azaspiro[4.5]decan-1-one (CID 118662121) is 8-(cyclopenten-1-yl)-8-(dimethylamino)-2-azaspiro[4.5]decan-1-one.
What is the SMILES notation for 8-(cyclopenten-1-yl)-8-(dimethylamino)-2-azaspiro[4.5]decan-1-one?
The canonical SMILES for 8-(cyclopenten-1-yl)-8-(dimethylamino)-2-azaspiro[4.5]decan-1-one is CN(C)C1(C2=CCCC2)CCC2(CCNC2=O)CC1.
What is the InChIKey of 8-(cyclopenten-1-yl)-8-(dimethylamino)-2-azaspiro[4.5]decan-1-one?
The InChIKey is MLAQDMZUBJLUGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-18(2)16(13-5-3-4-6-13)9-7-15(8-10-16)11-12-17-14(15)19/h5H,3-4,6-12H2,1-2H3,(H,17,19).
What are the key properties of 8-(cyclopenten-1-yl)-8-(dimethylamino)-2-azaspiro[4.5]decan-1-one?
8-(cyclopenten-1-yl)-8-(dimethylamino)-2-azaspiro[4.5]decan-1-one has a molecular weight of 262.40 g/mol, XLogP of 2.48, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(cyclopenten-1-yl)-8-(dimethylamino)-2-azaspiro[4.5]decan-1-one is sourced from PubChem (CID 118662121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).