(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-(2-bicyclo[2.2.1]hept-5-enyl)methanone

C15H22N2O — CID 61234780

IUPAC(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-(2-bicyclo[2.2.1]hept-5-enyl)methanone
SMILESNC1CC2CCC(C1)N2C(=O)C1CC2C=CC1C2
InChIInChI=1S/C15H22N2O/c16-11-7-12-3-4-13(8-11)17(12)15(18)14-6-9-1-2-10(14)5-9/h1-2,9-14H,3-8,16H2
InChIKeyTWARGYIPBKSZOH-UHFFFAOYSA-N
MW246.35 g/mol
LogP1.68
Rot. Bonds1

About (3-amino-8-azabicyclo[3.2.1]octan-8-yl)-(2-bicyclo[2.2.1]hept-5-enyl)methanone

(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-(2-bicyclo[2.2.1]hept-5-enyl)methanone (PubChem CID 61234780) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is (3-amino-8-azabicyclo[3.2.1]octan-8-yl)-(2-bicyclo[2.2.1]hept-5-enyl)methanone.

Molecular Properties

Compound Name(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-(2-bicyclo[2.2.1]hept-5-enyl)methanone
PubChem CID61234780
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-(2-bicyclo[2.2.1]hept-5-enyl)methanone
SMILESNC1CC2CCC(C1)N2C(=O)C1CC2C=CC1C2
InChIInChI=1S/C15H22N2O/c16-11-7-12-3-4-13(8-11)17(12)15(18)14-6-9-1-2-10(14)5-9/h1-2,9-14H,3-8,16H2
InChIKeyTWARGYIPBKSZOH-UHFFFAOYSA-N
XLogP1.68
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (3-amino-8-azabicyclo[3.2.1]octan-8-yl)-(2-bicyclo[2.2.1]hept-5-enyl)methanone with MolForge

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Related Compounds

(3-aminopyrrolidin-1-yl)-(2-bicyclo[2.2.1]hept-5-enyl)methanone
CID 62068890
(1S,2R,4R)-7-[(1R,2R,4R)-bicyclo[2.2.2]oct-5-ene-2-carbonyl]-7-azabicyclo[2.2.1]heptane-2-carboxylic acid
CID 154868448
N-(3-aminocyclobutyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 43594962
(5S)-3-amino-8-azabicyclo[3.2.1]octane-8-carboxylic acid
CID 146425848
1-[(1R,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]ethanone
CID 11869221
bicyclo[2.2.1]hept-5-ene-2-carbothioic S-acid
CID 139905426
bicyclo[2.2.1]hept-5-ene-2-carboxylic acid;zirconium
CID 87662542
methyl (1S,2R,4S)-bicyclo[2.2.1]hept-5-ene-2-carboxylate
CID 10964695
[2-(aminomethyl)-4-methylpiperazin-1-yl]-(2-bicyclo[2.2.1]hept-5-enyl)methanone
CID 80504586
2-bicyclo[2.2.1]hept-5-enyl-[4-(ethylaminomethyl)piperidin-1-yl]methanone
CID 80551690
silver bicyclo[2.2.1]hept-5-ene-2-carboxylate
CID 121435616
2-[(1S,2R,4S)-bicyclo[2.2.1]hept-5-ene-2-carbonyl]oxyethyl (1S,4S)-bicyclo[2.2.1]hept-5-ene-2-carboxylate
CID 71023765

Frequently Asked Questions

What is the IUPAC name of (3-amino-8-azabicyclo[3.2.1]octan-8-yl)-(2-bicyclo[2.2.1]hept-5-enyl)methanone?
The IUPAC name of (3-amino-8-azabicyclo[3.2.1]octan-8-yl)-(2-bicyclo[2.2.1]hept-5-enyl)methanone (CID 61234780) is (3-amino-8-azabicyclo[3.2.1]octan-8-yl)-(2-bicyclo[2.2.1]hept-5-enyl)methanone.
What is the SMILES notation for (3-amino-8-azabicyclo[3.2.1]octan-8-yl)-(2-bicyclo[2.2.1]hept-5-enyl)methanone?
The canonical SMILES for (3-amino-8-azabicyclo[3.2.1]octan-8-yl)-(2-bicyclo[2.2.1]hept-5-enyl)methanone is NC1CC2CCC(C1)N2C(=O)C1CC2C=CC1C2.
What is the InChIKey of (3-amino-8-azabicyclo[3.2.1]octan-8-yl)-(2-bicyclo[2.2.1]hept-5-enyl)methanone?
The InChIKey is TWARGYIPBKSZOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c16-11-7-12-3-4-13(8-11)17(12)15(18)14-6-9-1-2-10(14)5-9/h1-2,9-14H,3-8,16H2.
What are the key properties of (3-amino-8-azabicyclo[3.2.1]octan-8-yl)-(2-bicyclo[2.2.1]hept-5-enyl)methanone?
(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-(2-bicyclo[2.2.1]hept-5-enyl)methanone has a molecular weight of 246.35 g/mol, XLogP of 1.68, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-8-azabicyclo[3.2.1]octan-8-yl)-(2-bicyclo[2.2.1]hept-5-enyl)methanone is sourced from PubChem (CID 61234780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).