(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 1-formylpyrrolidine-2-carboxylate

C16H25NO3 — CID 131968669

IUPAC(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 1-formylpyrrolidine-2-carboxylate
SMILESCC1(C)C2CCC1(C)C(OC(=O)C1CCCN1C=O)C2
InChIInChI=1S/C16H25NO3/c1-15(2)11-6-7-16(15,3)13(9-11)20-14(19)12-5-4-8-17(12)10-18/h10-13H,4-9H2,1-3H3
InChIKeyYGTSBACBJDPHLS-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.37
Rot. Bonds3

About (1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 1-formylpyrrolidine-2-carboxylate

(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 1-formylpyrrolidine-2-carboxylate (PubChem CID 131968669) has the molecular formula C16H25NO3 and a molecular weight of 279.38 g/mol. Its IUPAC name is (1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 1-formylpyrrolidine-2-carboxylate.

Molecular Properties

Compound Name(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 1-formylpyrrolidine-2-carboxylate
PubChem CID131968669
Molecular FormulaC16H25NO3
Molecular Weight279.38 g/mol
Exact Mass279.18
IUPAC Name(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 1-formylpyrrolidine-2-carboxylate
SMILESCC1(C)C2CCC1(C)C(OC(=O)C1CCCN1C=O)C2
InChIInChI=1S/C16H25NO3/c1-15(2)11-6-7-16(15,3)13(9-11)20-14(19)12-5-4-8-17(12)10-18/h10-13H,4-9H2,1-3H3
InChIKeyYGTSBACBJDPHLS-UHFFFAOYSA-N
XLogP2.37
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 1-formylpyrrolidine-2-carboxylate?
The IUPAC name of (1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 1-formylpyrrolidine-2-carboxylate (CID 131968669) is (1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 1-formylpyrrolidine-2-carboxylate.
What is the SMILES notation for (1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 1-formylpyrrolidine-2-carboxylate?
The canonical SMILES for (1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 1-formylpyrrolidine-2-carboxylate is CC1(C)C2CCC1(C)C(OC(=O)C1CCCN1C=O)C2.
What is the InChIKey of (1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 1-formylpyrrolidine-2-carboxylate?
The InChIKey is YGTSBACBJDPHLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3/c1-15(2)11-6-7-16(15,3)13(9-11)20-14(19)12-5-4-8-17(12)10-18/h10-13H,4-9H2,1-3H3.
What are the key properties of (1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 1-formylpyrrolidine-2-carboxylate?
(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 1-formylpyrrolidine-2-carboxylate has a molecular weight of 279.38 g/mol, XLogP of 2.37, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 1-formylpyrrolidine-2-carboxylate is sourced from PubChem (CID 131968669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).