1-(2-bicyclo[2.2.1]hept-5-enyl)-3-[ethyl(propyl)amino]propan-1-one

C15H25NO — CID 142186990

IUPAC1-(2-bicyclo[2.2.1]hept-5-enyl)-3-[ethyl(propyl)amino]propan-1-one
SMILESCCCN(CC)CCC(=O)C1CC2C=CC1C2
InChIInChI=1S/C15H25NO/c1-3-8-16(4-2)9-7-15(17)14-11-12-5-6-13(14)10-12/h5-6,12-14H,3-4,7-11H2,1-2H3
InChIKeyLVOYEIRJTRRCMK-UHFFFAOYSA-N
MW235.37 g/mol
LogP2.89
Rot. Bonds7

About 1-(2-bicyclo[2.2.1]hept-5-enyl)-3-[ethyl(propyl)amino]propan-1-one

1-(2-bicyclo[2.2.1]hept-5-enyl)-3-[ethyl(propyl)amino]propan-1-one (PubChem CID 142186990) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is 1-(2-bicyclo[2.2.1]hept-5-enyl)-3-[ethyl(propyl)amino]propan-1-one.

Molecular Properties

Compound Name1-(2-bicyclo[2.2.1]hept-5-enyl)-3-[ethyl(propyl)amino]propan-1-one
PubChem CID142186990
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name1-(2-bicyclo[2.2.1]hept-5-enyl)-3-[ethyl(propyl)amino]propan-1-one
SMILESCCCN(CC)CCC(=O)C1CC2C=CC1C2
InChIInChI=1S/C15H25NO/c1-3-8-16(4-2)9-7-15(17)14-11-12-5-6-13(14)10-12/h5-6,12-14H,3-4,7-11H2,1-2H3
InChIKeyLVOYEIRJTRRCMK-UHFFFAOYSA-N
XLogP2.89
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(Bicyclo(2.2.1)hept-5-en-2-yl)-3-piperidinopropan-1-one
CID 12147988
1-(Bicyclo(2.2.1)hept-5-en-2-yl)-3-piperidinopropan-1-one hydrochloride
CID 44146755
1-((1RS,2SR(alpha Hydrogen),4RS)-bicyclo(2.2.1)hept-5-en-2-yl)-3-(piperidin-1-yl)propan-1-one, exo form-
CID 71587744
1-Bicyclo(2.2.1)hept-5-EN-2-YL-3-dimethylamino-propan-1-one
CID 3301102
N,N-Diethylbicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 19810804
1-(Bicyclo[2.2.1]hept-5-en-2-yl)-4-(dimethylamino)butan-1-one
CID 21416500
5-Dimethylaminoacetyl-2-Norbornene
CID 21416502
5-(Diethylamino)tricyclo[5.2.1.02,6]deca-4,8-dien-3-one
CID 21481816
N,N,3-Trimethylbicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 22959912
(2R,3R)-N,N,3-trimethylbicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 53814200
3-methyl-N,N-dioctylbicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 54404157
2-(2-bicyclo[2.2.1]hept-5-enyl)-N,N-dimethylacetamide
CID 59748105

Frequently Asked Questions

What is the IUPAC name of 1-(2-bicyclo[2.2.1]hept-5-enyl)-3-[ethyl(propyl)amino]propan-1-one?
The IUPAC name of 1-(2-bicyclo[2.2.1]hept-5-enyl)-3-[ethyl(propyl)amino]propan-1-one (CID 142186990) is 1-(2-bicyclo[2.2.1]hept-5-enyl)-3-[ethyl(propyl)amino]propan-1-one.
What is the SMILES notation for 1-(2-bicyclo[2.2.1]hept-5-enyl)-3-[ethyl(propyl)amino]propan-1-one?
The canonical SMILES for 1-(2-bicyclo[2.2.1]hept-5-enyl)-3-[ethyl(propyl)amino]propan-1-one is CCCN(CC)CCC(=O)C1CC2C=CC1C2.
What is the InChIKey of 1-(2-bicyclo[2.2.1]hept-5-enyl)-3-[ethyl(propyl)amino]propan-1-one?
The InChIKey is LVOYEIRJTRRCMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-3-8-16(4-2)9-7-15(17)14-11-12-5-6-13(14)10-12/h5-6,12-14H,3-4,7-11H2,1-2H3.
What are the key properties of 1-(2-bicyclo[2.2.1]hept-5-enyl)-3-[ethyl(propyl)amino]propan-1-one?
1-(2-bicyclo[2.2.1]hept-5-enyl)-3-[ethyl(propyl)amino]propan-1-one has a molecular weight of 235.37 g/mol, XLogP of 2.89, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bicyclo[2.2.1]hept-5-enyl)-3-[ethyl(propyl)amino]propan-1-one is sourced from PubChem (CID 142186990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).