(3-aminopyrrolidin-1-yl)-(2-bicyclo[2.2.1]hept-5-enyl)methanone

C12H18N2O — CID 62068890

IUPAC(3-aminopyrrolidin-1-yl)-(2-bicyclo[2.2.1]hept-5-enyl)methanone
SMILESNC1CCN(C(=O)C2CC3C=CC2C3)C1
InChIInChI=1S/C12H18N2O/c13-10-3-4-14(7-10)12(15)11-6-8-1-2-9(11)5-8/h1-2,8-11H,3-7,13H2
InChIKeySIWOYYVWOWCSCE-UHFFFAOYSA-N
MW206.29 g/mol
LogP0.76
Rot. Bonds1

About (3-aminopyrrolidin-1-yl)-(2-bicyclo[2.2.1]hept-5-enyl)methanone

(3-aminopyrrolidin-1-yl)-(2-bicyclo[2.2.1]hept-5-enyl)methanone (PubChem CID 62068890) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is (3-aminopyrrolidin-1-yl)-(2-bicyclo[2.2.1]hept-5-enyl)methanone.

Molecular Properties

Compound Name(3-aminopyrrolidin-1-yl)-(2-bicyclo[2.2.1]hept-5-enyl)methanone
PubChem CID62068890
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name(3-aminopyrrolidin-1-yl)-(2-bicyclo[2.2.1]hept-5-enyl)methanone
SMILESNC1CCN(C(=O)C2CC3C=CC2C3)C1
InChIInChI=1S/C12H18N2O/c13-10-3-4-14(7-10)12(15)11-6-8-1-2-9(11)5-8/h1-2,8-11H,3-7,13H2
InChIKeySIWOYYVWOWCSCE-UHFFFAOYSA-N
XLogP0.76
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-(2-bicyclo[2.2.1]hept-5-enyl)methanone
CID 61234780
2-bicyclo[2.2.1]hept-5-enyl-[4-(ethylaminomethyl)piperidin-1-yl]methanone
CID 80551690
6-(3-aminopyrrolidine-1-carbonyl)cyclohex-3-ene-1-carboxylic acid
CID 62068915
(3S)-3-aminopyrrolidine-1-carboxamide
CID 59841091
[2-(aminomethyl)-4-methylpiperazin-1-yl]-(2-bicyclo[2.2.1]hept-5-enyl)methanone
CID 80504586
bicyclo[2.2.1]hept-5-ene-2-carboxylic acid;2-bicyclo[2.2.1]hept-5-enyl-[4,4-bis(hydroxymethyl)piperidin-1-yl]methanone
CID 158177900
[4-(adamantane-1-carbonyl)piperazin-1-yl]-[(1R,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methanone
CID 98329668
[(3R)-3-aminopyrrolidin-1-yl]-[(3S,4S)-4-methylpyrrolidin-3-yl]methanone;hydrochloride
CID 130804817
2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl-[(1S,4S)-2-bicyclo[2.2.2]oct-5-enyl]methanone
CID 58201411
(3-aminopyrrolidin-1-yl)-[2-(4-bromophenyl)cyclopropyl]methanone;hydrochloride
CID 119482952
2-bicyclo[2.2.1]hept-5-enyl-[4-(5-methoxypyrimidin-2-yl)oxypiperidin-1-yl]methanone
CID 154583672
3-[1-[(1R,2R,4R)-bicyclo[2.2.1]hept-5-ene-2-carbonyl]piperidin-4-yl]-1-(4-phenylpiperazin-1-yl)propan-1-one
CID 42516202

Frequently Asked Questions

What is the IUPAC name of (3-aminopyrrolidin-1-yl)-(2-bicyclo[2.2.1]hept-5-enyl)methanone?
The IUPAC name of (3-aminopyrrolidin-1-yl)-(2-bicyclo[2.2.1]hept-5-enyl)methanone (CID 62068890) is (3-aminopyrrolidin-1-yl)-(2-bicyclo[2.2.1]hept-5-enyl)methanone.
What is the SMILES notation for (3-aminopyrrolidin-1-yl)-(2-bicyclo[2.2.1]hept-5-enyl)methanone?
The canonical SMILES for (3-aminopyrrolidin-1-yl)-(2-bicyclo[2.2.1]hept-5-enyl)methanone is NC1CCN(C(=O)C2CC3C=CC2C3)C1.
What is the InChIKey of (3-aminopyrrolidin-1-yl)-(2-bicyclo[2.2.1]hept-5-enyl)methanone?
The InChIKey is SIWOYYVWOWCSCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c13-10-3-4-14(7-10)12(15)11-6-8-1-2-9(11)5-8/h1-2,8-11H,3-7,13H2.
What are the key properties of (3-aminopyrrolidin-1-yl)-(2-bicyclo[2.2.1]hept-5-enyl)methanone?
(3-aminopyrrolidin-1-yl)-(2-bicyclo[2.2.1]hept-5-enyl)methanone has a molecular weight of 206.29 g/mol, XLogP of 0.76, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminopyrrolidin-1-yl)-(2-bicyclo[2.2.1]hept-5-enyl)methanone is sourced from PubChem (CID 62068890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).