3-[2-bicyclo[2.2.1]heptanyl(methyl)amino]cyclopentan-1-one

C13H21NO — CID 130847198

IUPAC3-[2-bicyclo[2.2.1]heptanyl(methyl)amino]cyclopentan-1-one
SMILESCN(C1CCC(=O)C1)C1CC2CCC1C2
InChIInChI=1S/C13H21NO/c1-14(11-4-5-12(15)8-11)13-7-9-2-3-10(13)6-9/h9-11,13H,2-8H2,1H3
InChIKeyXMINQQBAVLCVIC-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.23
Rot. Bonds2

About 3-[2-bicyclo[2.2.1]heptanyl(methyl)amino]cyclopentan-1-one

3-[2-bicyclo[2.2.1]heptanyl(methyl)amino]cyclopentan-1-one (PubChem CID 130847198) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 3-[2-bicyclo[2.2.1]heptanyl(methyl)amino]cyclopentan-1-one.

Molecular Properties

Compound Name3-[2-bicyclo[2.2.1]heptanyl(methyl)amino]cyclopentan-1-one
PubChem CID130847198
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name3-[2-bicyclo[2.2.1]heptanyl(methyl)amino]cyclopentan-1-one
SMILESCN(C1CCC(=O)C1)C1CC2CCC1C2
InChIInChI=1S/C13H21NO/c1-14(11-4-5-12(15)8-11)13-7-9-2-3-10(13)6-9/h9-11,13H,2-8H2,1H3
InChIKeyXMINQQBAVLCVIC-UHFFFAOYSA-N
XLogP2.23
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]cyclohexan-1-one
CID 79618760
N-(2-bicyclo[2.2.1]heptanyl)-N-methylethanesulfonamide
CID 127003842
N'-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]-N,N,N'-trimethylethane-1,2-diamine
CID 1378401
4-[cyclohexyl(methyl)amino]cyclohexan-1-one
CID 79119763
3-[bis(2-methylpropyl)amino]cyclopentan-1-one
CID 79643153
3-[ethyl(propyl)amino]cyclopentan-1-one
CID 79642682
3-[1-(dimethylamino)propan-2-yl-ethylamino]cyclopentan-1-one
CID 103189904
bromo N-(2-bicyclo[2.2.1]heptanyl)-N-methylcarbamate;hydrobromide
CID 70567061
3-(dibutylamino)cyclopentan-1-one
CID 79644207
6-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalen-2-one
CID 67967191
3-(2-bicyclo[2.2.1]heptanylmethyl)-3-methylcyclopentan-1-one
CID 116538621
3-[(3S,4aR,8aR)-6-oxo-1-propyl-2,3,4,4a,5,7,8,8a-octahydroquinolin-3-yl]-1-cyclopropyl-1-methylurea
CID 90224198

Frequently Asked Questions

What is the IUPAC name of 3-[2-bicyclo[2.2.1]heptanyl(methyl)amino]cyclopentan-1-one?
The IUPAC name of 3-[2-bicyclo[2.2.1]heptanyl(methyl)amino]cyclopentan-1-one (CID 130847198) is 3-[2-bicyclo[2.2.1]heptanyl(methyl)amino]cyclopentan-1-one.
What is the SMILES notation for 3-[2-bicyclo[2.2.1]heptanyl(methyl)amino]cyclopentan-1-one?
The canonical SMILES for 3-[2-bicyclo[2.2.1]heptanyl(methyl)amino]cyclopentan-1-one is CN(C1CCC(=O)C1)C1CC2CCC1C2.
What is the InChIKey of 3-[2-bicyclo[2.2.1]heptanyl(methyl)amino]cyclopentan-1-one?
The InChIKey is XMINQQBAVLCVIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-14(11-4-5-12(15)8-11)13-7-9-2-3-10(13)6-9/h9-11,13H,2-8H2,1H3.
What are the key properties of 3-[2-bicyclo[2.2.1]heptanyl(methyl)amino]cyclopentan-1-one?
3-[2-bicyclo[2.2.1]heptanyl(methyl)amino]cyclopentan-1-one has a molecular weight of 207.32 g/mol, XLogP of 2.23, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-bicyclo[2.2.1]heptanyl(methyl)amino]cyclopentan-1-one is sourced from PubChem (CID 130847198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).