N-(3-azabicyclo[3.1.0]hexan-6-yl)-2-cyclopent-2-en-1-ylacetamide

C12H18N2O — CID 43594382

IUPACN-(3-azabicyclo[3.1.0]hexan-6-yl)-2-cyclopent-2-en-1-ylacetamide
SMILESO=C(CC1C=CCC1)NC1C2CNCC21
InChIInChI=1S/C12H18N2O/c15-11(5-8-3-1-2-4-8)14-12-9-6-13-7-10(9)12/h1,3,8-10,12-13H,2,4-7H2,(H,14,15)
InChIKeyGTECAQFUUNSVOM-UHFFFAOYSA-N
MW206.29 g/mol
LogP0.68
Rot. Bonds3

About N-(3-azabicyclo[3.1.0]hexan-6-yl)-2-cyclopent-2-en-1-ylacetamide

N-(3-azabicyclo[3.1.0]hexan-6-yl)-2-cyclopent-2-en-1-ylacetamide (PubChem CID 43594382) 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)-2-cyclopent-2-en-1-ylacetamide.

Molecular Properties

Compound NameN-(3-azabicyclo[3.1.0]hexan-6-yl)-2-cyclopent-2-en-1-ylacetamide
PubChem CID43594382
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC NameN-(3-azabicyclo[3.1.0]hexan-6-yl)-2-cyclopent-2-en-1-ylacetamide
SMILESO=C(CC1C=CCC1)NC1C2CNCC21
InChIInChI=1S/C12H18N2O/c15-11(5-8-3-1-2-4-8)14-12-9-6-13-7-10(9)12/h1,3,8-10,12-13H,2,4-7H2,(H,14,15)
InChIKeyGTECAQFUUNSVOM-UHFFFAOYSA-N
XLogP0.68
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
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

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CID 24794238
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CID 71789244
1-(Cyclohex-3-ene-1-carbonyl)-4-(pyrrolidin-3-YL)piperidine
CID 110197849
N-cyclohexyl-2-[(1R)-cyclopent-2-en-1-yl]acetamide
CID 39969360
N-cyclopropyl-3-[1-[(2S)-2,6-dimethylhept-5-enyl]piperidin-4-yl]propanamide
CID 42564928
2-[(1R)-cyclopent-2-en-1-yl]-N-(dicyclopropylmethyl)acetamide
CID 93831426
N-cyclohexyl-2-cyclopent-2-en-1-ylacetamide
CID 42891783
N-[1-(cyclopropanecarbonyl)piperidin-4-yl]cyclohex-3-ene-1-carboxamide
CID 42943349
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
(3aS,7aR)-2,3,3a,4,5,7a-hexahydro-1H-indol-2-one
CID 13846991
2-cyclopent-2-en-1-yl-N-cyclopentylacetamide
CID 45353282

Frequently Asked Questions

What is the IUPAC name of N-(3-azabicyclo[3.1.0]hexan-6-yl)-2-cyclopent-2-en-1-ylacetamide?
The IUPAC name of N-(3-azabicyclo[3.1.0]hexan-6-yl)-2-cyclopent-2-en-1-ylacetamide (CID 43594382) is N-(3-azabicyclo[3.1.0]hexan-6-yl)-2-cyclopent-2-en-1-ylacetamide.
What is the SMILES notation for N-(3-azabicyclo[3.1.0]hexan-6-yl)-2-cyclopent-2-en-1-ylacetamide?
The canonical SMILES for N-(3-azabicyclo[3.1.0]hexan-6-yl)-2-cyclopent-2-en-1-ylacetamide is O=C(CC1C=CCC1)NC1C2CNCC21.
What is the InChIKey of N-(3-azabicyclo[3.1.0]hexan-6-yl)-2-cyclopent-2-en-1-ylacetamide?
The InChIKey is GTECAQFUUNSVOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c15-11(5-8-3-1-2-4-8)14-12-9-6-13-7-10(9)12/h1,3,8-10,12-13H,2,4-7H2,(H,14,15).
What are the key properties of N-(3-azabicyclo[3.1.0]hexan-6-yl)-2-cyclopent-2-en-1-ylacetamide?
N-(3-azabicyclo[3.1.0]hexan-6-yl)-2-cyclopent-2-en-1-ylacetamide has a molecular weight of 206.29 g/mol, XLogP of 0.68, 3 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)-2-cyclopent-2-en-1-ylacetamide is sourced from PubChem (CID 43594382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).