N-(3-azabicyclo[3.1.0]hexan-6-yl)cyclohex-3-ene-1-carboxamide

C12H18N2O — CID 43594355

IUPACN-(3-azabicyclo[3.1.0]hexan-6-yl)cyclohex-3-ene-1-carboxamide
SMILESO=C(NC1C2CNCC21)C1CC=CCC1
InChIInChI=1S/C12H18N2O/c15-12(8-4-2-1-3-5-8)14-11-9-6-13-7-10(9)11/h1-2,8-11,13H,3-7H2,(H,14,15)
InChIKeyDWXXHNXLLQCZLN-UHFFFAOYSA-N
MW206.29 g/mol
LogP0.68
Rot. Bonds2

About N-(3-azabicyclo[3.1.0]hexan-6-yl)cyclohex-3-ene-1-carboxamide

N-(3-azabicyclo[3.1.0]hexan-6-yl)cyclohex-3-ene-1-carboxamide (PubChem CID 43594355) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is N-(3-azabicyclo[3.1.0]hexan-6-yl)cyclohex-3-ene-1-carboxamide.

Molecular Properties

Compound NameN-(3-azabicyclo[3.1.0]hexan-6-yl)cyclohex-3-ene-1-carboxamide
PubChem CID43594355
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC NameN-(3-azabicyclo[3.1.0]hexan-6-yl)cyclohex-3-ene-1-carboxamide
SMILESO=C(NC1C2CNCC21)C1CC=CCC1
InChIInChI=1S/C12H18N2O/c15-12(8-4-2-1-3-5-8)14-11-9-6-13-7-10(9)11/h1-2,8-11,13H,3-7H2,(H,14,15)
InChIKeyDWXXHNXLLQCZLN-UHFFFAOYSA-N
XLogP0.68
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 50.68
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-(1-cyclopropyl-5-oxopyrrolidin-3-yl)cyclohex-3-ene-1-carboxamide
CID 71789244
1-(Cyclohex-3-ene-1-carbonyl)-4-(pyrrolidin-3-YL)piperidine
CID 110197849
N-[1-(cyclopropanecarbonyl)piperidin-4-yl]cyclohex-3-ene-1-carboxamide
CID 42943349
N-cyclopent-3-en-1-yl-1'-(cyclopropylcarbonyl)-1,4'-bipiperidine-3-carboxamide
CID 56878806
Cyclopent-3-en-1-yl-(4-pyrrolidin-3-ylpiperidin-1-yl)methanone
CID 91921253
8-(Cyclopent-3-ene-1-carbonyl)-1,8-diazaspiro[4.5]decan-2-one
CID 97493677
N-[3-[3-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)propyl]-3-azabicyclo[3.1.0]hexan-6-yl]acetamide
CID 16058800
[(1R,6R)-6-aminocyclohex-3-en-1-yl]-pyrrolidin-1-ylmethanone
CID 53843939
(2R)-1-[(1R,6R)-6-aminocyclohex-3-ene-1-carbonyl]-2-methylpyrrolidin-1-ium-1-carbonitrile
CID 56975377
[(1S,6S)-6-aminocyclohex-3-en-1-yl]-(4-methylpiperidin-1-yl)methanone
CID 57014475
(6-Aminocyclohex-3-en-1-yl)-pyrrolidin-1-ylmethanone
CID 57137224
(2R)-1-[(1S,6R)-6-aminocyclohex-3-ene-1-carbonyl]-2-methylpyrrolidin-1-ium-1-carbonitrile
CID 57253761

Frequently Asked Questions

What is the IUPAC name of N-(3-azabicyclo[3.1.0]hexan-6-yl)cyclohex-3-ene-1-carboxamide?
The IUPAC name of N-(3-azabicyclo[3.1.0]hexan-6-yl)cyclohex-3-ene-1-carboxamide (CID 43594355) is N-(3-azabicyclo[3.1.0]hexan-6-yl)cyclohex-3-ene-1-carboxamide.
What is the SMILES notation for N-(3-azabicyclo[3.1.0]hexan-6-yl)cyclohex-3-ene-1-carboxamide?
The canonical SMILES for N-(3-azabicyclo[3.1.0]hexan-6-yl)cyclohex-3-ene-1-carboxamide is O=C(NC1C2CNCC21)C1CC=CCC1.
What is the InChIKey of N-(3-azabicyclo[3.1.0]hexan-6-yl)cyclohex-3-ene-1-carboxamide?
The InChIKey is DWXXHNXLLQCZLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c15-12(8-4-2-1-3-5-8)14-11-9-6-13-7-10(9)11/h1-2,8-11,13H,3-7H2,(H,14,15).
What are the key properties of N-(3-azabicyclo[3.1.0]hexan-6-yl)cyclohex-3-ene-1-carboxamide?
N-(3-azabicyclo[3.1.0]hexan-6-yl)cyclohex-3-ene-1-carboxamide has a molecular weight of 206.29 g/mol, XLogP of 0.68, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-azabicyclo[3.1.0]hexan-6-yl)cyclohex-3-ene-1-carboxamide is sourced from PubChem (CID 43594355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).