8-amino-2-(3-methylidenecyclohexen-1-yl)-2-azaspiro[4.5]decan-1-one

C16H24N2O — CID 118234391

IUPAC8-amino-2-(3-methylidenecyclohexen-1-yl)-2-azaspiro[4.5]decan-1-one
SMILESC=C1C=C(N2CCC3(CCC(N)CC3)C2=O)CCC1
InChIInChI=1S/C16H24N2O/c1-12-3-2-4-14(11-12)18-10-9-16(15(18)19)7-5-13(17)6-8-16/h11,13H,1-10,17H2
InChIKeyWVCGDSKEXKNEEP-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.73
Rot. Bonds1

About 8-amino-2-(3-methylidenecyclohexen-1-yl)-2-azaspiro[4.5]decan-1-one

8-amino-2-(3-methylidenecyclohexen-1-yl)-2-azaspiro[4.5]decan-1-one (PubChem CID 118234391) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 8-amino-2-(3-methylidenecyclohexen-1-yl)-2-azaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name8-amino-2-(3-methylidenecyclohexen-1-yl)-2-azaspiro[4.5]decan-1-one
PubChem CID118234391
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name8-amino-2-(3-methylidenecyclohexen-1-yl)-2-azaspiro[4.5]decan-1-one
SMILESC=C1C=C(N2CCC3(CCC(N)CC3)C2=O)CCC1
InChIInChI=1S/C16H24N2O/c1-12-3-2-4-14(11-12)18-10-9-16(15(18)19)7-5-13(17)6-8-16/h11,13H,1-10,17H2
InChIKeyWVCGDSKEXKNEEP-UHFFFAOYSA-N
XLogP2.73
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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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
8-Amino-2-(2-methyl-3-oxocyclohexen-1-yl)-2-azaspiro[4.5]decan-1-one
CID 118234323
(3R)-8-amino-3-methyl-2-(3-methylidenecyclohexen-1-yl)-2-azaspiro[4.5]decan-1-one
CID 118234389
(3R)-8-amino-3-methyl-2-(2-methyl-3-methylidenecyclohexen-1-yl)-2-azaspiro[4.5]decan-1-one
CID 118234401
8-Cyclopent-1-enyl-8-dimethylamino-2-azaspiro[4.5]decan-1-one
CID 118662121
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

Frequently Asked Questions

What is the IUPAC name of 8-amino-2-(3-methylidenecyclohexen-1-yl)-2-azaspiro[4.5]decan-1-one?
The IUPAC name of 8-amino-2-(3-methylidenecyclohexen-1-yl)-2-azaspiro[4.5]decan-1-one (CID 118234391) is 8-amino-2-(3-methylidenecyclohexen-1-yl)-2-azaspiro[4.5]decan-1-one.
What is the SMILES notation for 8-amino-2-(3-methylidenecyclohexen-1-yl)-2-azaspiro[4.5]decan-1-one?
The canonical SMILES for 8-amino-2-(3-methylidenecyclohexen-1-yl)-2-azaspiro[4.5]decan-1-one is C=C1C=C(N2CCC3(CCC(N)CC3)C2=O)CCC1.
What is the InChIKey of 8-amino-2-(3-methylidenecyclohexen-1-yl)-2-azaspiro[4.5]decan-1-one?
The InChIKey is WVCGDSKEXKNEEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-12-3-2-4-14(11-12)18-10-9-16(15(18)19)7-5-13(17)6-8-16/h11,13H,1-10,17H2.
What are the key properties of 8-amino-2-(3-methylidenecyclohexen-1-yl)-2-azaspiro[4.5]decan-1-one?
8-amino-2-(3-methylidenecyclohexen-1-yl)-2-azaspiro[4.5]decan-1-one has a molecular weight of 260.38 g/mol, XLogP of 2.73, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-amino-2-(3-methylidenecyclohexen-1-yl)-2-azaspiro[4.5]decan-1-one is sourced from PubChem (CID 118234391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).