1,7,7-trimethyl-4-(pyrrolidine-1-carbonyl)bicyclo[2.2.1]heptan-2-one

C15H23NO2 — CID 2897977

IUPAC1,7,7-trimethyl-4-(pyrrolidine-1-carbonyl)bicyclo[2.2.1]heptan-2-one
SMILESCC12CCC(C(=O)N3CCCC3)(CC1=O)C2(C)C
InChIInChI=1S/C15H23NO2/c1-13(2)14(3)6-7-15(13,10-11(14)17)12(18)16-8-4-5-9-16/h4-10H2,1-3H3
InChIKeyDYEOYMXPFGTZNY-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.39
Rot. Bonds1

About 1,7,7-trimethyl-4-(pyrrolidine-1-carbonyl)bicyclo[2.2.1]heptan-2-one

1,7,7-trimethyl-4-(pyrrolidine-1-carbonyl)bicyclo[2.2.1]heptan-2-one (PubChem CID 2897977) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 1,7,7-trimethyl-4-(pyrrolidine-1-carbonyl)bicyclo[2.2.1]heptan-2-one.

Molecular Properties

Compound Name1,7,7-trimethyl-4-(pyrrolidine-1-carbonyl)bicyclo[2.2.1]heptan-2-one
PubChem CID2897977
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name1,7,7-trimethyl-4-(pyrrolidine-1-carbonyl)bicyclo[2.2.1]heptan-2-one
SMILESCC12CCC(C(=O)N3CCCC3)(CC1=O)C2(C)C
InChIInChI=1S/C15H23NO2/c1-13(2)14(3)6-7-15(13,10-11(14)17)12(18)16-8-4-5-9-16/h4-10H2,1-3H3
InChIKeyDYEOYMXPFGTZNY-UHFFFAOYSA-N
XLogP2.39
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-bis(2-cyanoethyl)-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide
CID 663239
1,7,7-Trimethyl-4-[(1,3,3-trimethyl-6-azabicyclo[3.2.1]oct-6-yl)carbonyl]bicyclo[2.2.1]heptan-2-one
CID 2928834
1,7,7-Trimethyl-4-[(2-methylpiperidin-1-yl)carbonyl]bicyclo[2.2.1]heptan-2-one
CID 2921296
1,7,7-Trimethyl-4-[(3-methylpiperidin-1-yl)carbonyl]bicyclo[2.2.1]heptan-2-one
CID 2921570
4-(4-Ethylpiperazine-1-carbonyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one
CID 2898030
(1R,4R)-N,N-bis(2-methoxyethyl)-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide
CID 662876
N-ethyl-N-(2-hydroxyethyl)-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide
CID 2941016
1,7,7-Trimethyl-4-(piperidine-1-carbonyl)bicyclo[2.2.1]heptan-2-one
CID 2897994
1,7,7-trimethyl-N,N-bis(2-methylpropyl)-2-oxo-4-bicyclo[2.2.1]heptanecarboxamide
CID 2927570
(1S,4S)-1,7,7-trimethyl-4-(4-methylpiperazine-1-carbonyl)bicyclo[2.2.1]heptan-2-one
CID 2898016
4-(1-Azepanylcarbonyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one
CID 2949595
4,7,7-Trimethyl-3-oxo-N-propylbicyclo[2.2.1]heptane-1-carboxamide
CID 2951443

Frequently Asked Questions

What is the IUPAC name of 1,7,7-trimethyl-4-(pyrrolidine-1-carbonyl)bicyclo[2.2.1]heptan-2-one?
The IUPAC name of 1,7,7-trimethyl-4-(pyrrolidine-1-carbonyl)bicyclo[2.2.1]heptan-2-one (CID 2897977) is 1,7,7-trimethyl-4-(pyrrolidine-1-carbonyl)bicyclo[2.2.1]heptan-2-one.
What is the SMILES notation for 1,7,7-trimethyl-4-(pyrrolidine-1-carbonyl)bicyclo[2.2.1]heptan-2-one?
The canonical SMILES for 1,7,7-trimethyl-4-(pyrrolidine-1-carbonyl)bicyclo[2.2.1]heptan-2-one is CC12CCC(C(=O)N3CCCC3)(CC1=O)C2(C)C.
What is the InChIKey of 1,7,7-trimethyl-4-(pyrrolidine-1-carbonyl)bicyclo[2.2.1]heptan-2-one?
The InChIKey is DYEOYMXPFGTZNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-13(2)14(3)6-7-15(13,10-11(14)17)12(18)16-8-4-5-9-16/h4-10H2,1-3H3.
What are the key properties of 1,7,7-trimethyl-4-(pyrrolidine-1-carbonyl)bicyclo[2.2.1]heptan-2-one?
1,7,7-trimethyl-4-(pyrrolidine-1-carbonyl)bicyclo[2.2.1]heptan-2-one has a molecular weight of 249.35 g/mol, XLogP of 2.39, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,7,7-trimethyl-4-(pyrrolidine-1-carbonyl)bicyclo[2.2.1]heptan-2-one is sourced from PubChem (CID 2897977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).