6-methylidene-2,3,4,4a,5,7,8,8a-octahydro-1H-quinoline-2-carboxamide

C11H18N2O — CID 123639307

IUPAC6-methylidene-2,3,4,4a,5,7,8,8a-octahydro-1H-quinoline-2-carboxamide
SMILESC=C1CCC2NC(C(N)=O)CCC2C1
InChIInChI=1S/C11H18N2O/c1-7-2-4-9-8(6-7)3-5-10(13-9)11(12)14/h8-10,13H,1-6H2,(H2,12,14)
InChIKeyNQHOVHUXVLVFFK-UHFFFAOYSA-N
MW194.28 g/mol
LogP0.95
Rot. Bonds1

About 6-methylidene-2,3,4,4a,5,7,8,8a-octahydro-1H-quinoline-2-carboxamide

6-methylidene-2,3,4,4a,5,7,8,8a-octahydro-1H-quinoline-2-carboxamide (PubChem CID 123639307) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 6-methylidene-2,3,4,4a,5,7,8,8a-octahydro-1H-quinoline-2-carboxamide.

Molecular Properties

Compound Name6-methylidene-2,3,4,4a,5,7,8,8a-octahydro-1H-quinoline-2-carboxamide
PubChem CID123639307
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name6-methylidene-2,3,4,4a,5,7,8,8a-octahydro-1H-quinoline-2-carboxamide
SMILESC=C1CCC2NC(C(N)=O)CCC2C1
InChIInChI=1S/C11H18N2O/c1-7-2-4-9-8(6-7)3-5-10(13-9)11(12)14/h8-10,13H,1-6H2,(H2,12,14)
InChIKeyNQHOVHUXVLVFFK-UHFFFAOYSA-N
XLogP0.95
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 50.95
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

6-methylidene-2,3,4,4a,5,7,8,8a-octahydro-1H-quinoline-2-carbonitrile
CID 123856788
(2R,5R)-pyrrolidine-2,5-dicarboxamide
CID 93496955
(2S,3aS,7aR)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 124506458
(2S)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 57059151
(2R,5R)-5-carbamoylpyrrolidine-2-carboxylic acid
CID 112757650
(3S,5S)-2-azabicyclo[3.1.0]hexane-3-carboxamide
CID 58594265
5-methylidene-1,2,3,3a,4,6,7,7a-octahydroindazole
CID 91292382
(2S)-5-cyclopropylazepane-2-carboxamide
CID 163441383
1-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carbonyl)pyrrolidine-2-carboxamide
CID 66470363
5-cyclopropyl-N-hydroxy-N-methylpyrrolidine-2-carboxamide
CID 164646306
4-oxopiperidine-2,6-dicarboxamide
CID 78315101
(2S,4R)-azetidine-2,4-dicarboxamide
CID 14654422

Frequently Asked Questions

What is the IUPAC name of 6-methylidene-2,3,4,4a,5,7,8,8a-octahydro-1H-quinoline-2-carboxamide?
The IUPAC name of 6-methylidene-2,3,4,4a,5,7,8,8a-octahydro-1H-quinoline-2-carboxamide (CID 123639307) is 6-methylidene-2,3,4,4a,5,7,8,8a-octahydro-1H-quinoline-2-carboxamide.
What is the SMILES notation for 6-methylidene-2,3,4,4a,5,7,8,8a-octahydro-1H-quinoline-2-carboxamide?
The canonical SMILES for 6-methylidene-2,3,4,4a,5,7,8,8a-octahydro-1H-quinoline-2-carboxamide is C=C1CCC2NC(C(N)=O)CCC2C1.
What is the InChIKey of 6-methylidene-2,3,4,4a,5,7,8,8a-octahydro-1H-quinoline-2-carboxamide?
The InChIKey is NQHOVHUXVLVFFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-7-2-4-9-8(6-7)3-5-10(13-9)11(12)14/h8-10,13H,1-6H2,(H2,12,14).
What are the key properties of 6-methylidene-2,3,4,4a,5,7,8,8a-octahydro-1H-quinoline-2-carboxamide?
6-methylidene-2,3,4,4a,5,7,8,8a-octahydro-1H-quinoline-2-carboxamide has a molecular weight of 194.28 g/mol, XLogP of 0.95, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methylidene-2,3,4,4a,5,7,8,8a-octahydro-1H-quinoline-2-carboxamide is sourced from PubChem (CID 123639307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).