3-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-1-methylpyrrolidine-2,5-dione

C14H22N2O2 — CID 43635971

IUPAC3-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-1-methylpyrrolidine-2,5-dione
SMILESCC(NC1CC(=O)N(C)C1=O)C1CC2CCC1C2
InChIInChI=1S/C14H22N2O2/c1-8(11-6-9-3-4-10(11)5-9)15-12-7-13(17)16(2)14(12)18/h8-12,15H,3-7H2,1-2H3
InChIKeyUGQISXMKFYHCOZ-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.16
Rot. Bonds3

About 3-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-1-methylpyrrolidine-2,5-dione

3-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-1-methylpyrrolidine-2,5-dione (PubChem CID 43635971) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 3-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-1-methylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-1-methylpyrrolidine-2,5-dione
PubChem CID43635971
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name3-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-1-methylpyrrolidine-2,5-dione
SMILESCC(NC1CC(=O)N(C)C1=O)C1CC2CCC1C2
InChIInChI=1S/C14H22N2O2/c1-8(11-6-9-3-4-10(11)5-9)15-12-7-13(17)16(2)14(12)18/h8-12,15H,3-7H2,1-2H3
InChIKeyUGQISXMKFYHCOZ-UHFFFAOYSA-N
XLogP1.16
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(2-bicyclo[2.2.1]heptanylmethylamino)-1-methylpyrrolidine-2,5-dione
CID 63684163
N-[(1R)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]cyclobutanamine
CID 98119580
3-(1-aminopropan-2-ylamino)-1-methylpyrrolidine-2,5-dione
CID 103390234
2-[(1-methyl-2,5-dioxopyrrolidin-3-yl)amino]propanoic acid
CID 43638674
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-cyclopropylcyclohexan-1-amine
CID 64594055
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3,5-dimethylcyclohexan-1-amine
CID 64723595
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-propan-2-ylpiperidin-4-amine
CID 43178308
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3,4-dihydro-2H-chromen-4-amine
CID 43193389
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]ethanesulfonamide
CID 4078136
1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-(methylamino)pyrrolidin-2-one
CID 54973512
(3S)-1-methyl-3-[[(1S)-1-phenylethyl]amino]pyrrolidine-2,5-dione
CID 7377821
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2,2-dimethylcyclohexan-1-amine
CID 79829243

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-1-methylpyrrolidine-2,5-dione?
The IUPAC name of 3-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-1-methylpyrrolidine-2,5-dione (CID 43635971) is 3-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-1-methylpyrrolidine-2,5-dione.
What is the SMILES notation for 3-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-1-methylpyrrolidine-2,5-dione?
The canonical SMILES for 3-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-1-methylpyrrolidine-2,5-dione is CC(NC1CC(=O)N(C)C1=O)C1CC2CCC1C2.
What is the InChIKey of 3-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-1-methylpyrrolidine-2,5-dione?
The InChIKey is UGQISXMKFYHCOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-8(11-6-9-3-4-10(11)5-9)15-12-7-13(17)16(2)14(12)18/h8-12,15H,3-7H2,1-2H3.
What are the key properties of 3-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-1-methylpyrrolidine-2,5-dione?
3-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-1-methylpyrrolidine-2,5-dione has a molecular weight of 250.34 g/mol, XLogP of 1.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-1-methylpyrrolidine-2,5-dione is sourced from PubChem (CID 43635971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).