(2-propylcyclopropyl) 3-formyl-3-propylpyrrolidine-1-carboxylate

C15H25NO3 — CID 163524014

IUPAC(2-propylcyclopropyl) 3-formyl-3-propylpyrrolidine-1-carboxylate
SMILESCCCC1CC1OC(=O)N1CCC(C=O)(CCC)C1
InChIInChI=1S/C15H25NO3/c1-3-5-12-9-13(12)19-14(18)16-8-7-15(10-16,11-17)6-4-2/h11-13H,3-10H2,1-2H3
InChIKeyDNENFXLPANCRIW-UHFFFAOYSA-N
MW267.37 g/mol
LogP3.00
Rot. Bonds6

About (2-propylcyclopropyl) 3-formyl-3-propylpyrrolidine-1-carboxylate

(2-propylcyclopropyl) 3-formyl-3-propylpyrrolidine-1-carboxylate (PubChem CID 163524014) has the molecular formula C15H25NO3 and a molecular weight of 267.37 g/mol. Its IUPAC name is (2-propylcyclopropyl) 3-formyl-3-propylpyrrolidine-1-carboxylate.

Molecular Properties

Compound Name(2-propylcyclopropyl) 3-formyl-3-propylpyrrolidine-1-carboxylate
PubChem CID163524014
Molecular FormulaC15H25NO3
Molecular Weight267.37 g/mol
Exact Mass267.18
IUPAC Name(2-propylcyclopropyl) 3-formyl-3-propylpyrrolidine-1-carboxylate
SMILESCCCC1CC1OC(=O)N1CCC(C=O)(CCC)C1
InChIInChI=1S/C15H25NO3/c1-3-5-12-9-13(12)19-14(18)16-8-7-15(10-16,11-17)6-4-2/h11-13H,3-10H2,1-2H3
InChIKeyDNENFXLPANCRIW-UHFFFAOYSA-N
XLogP3.00
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 53.00
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 (2-propylcyclopropyl) 3-formyl-3-propylpyrrolidine-1-carboxylate?
The IUPAC name of (2-propylcyclopropyl) 3-formyl-3-propylpyrrolidine-1-carboxylate (CID 163524014) is (2-propylcyclopropyl) 3-formyl-3-propylpyrrolidine-1-carboxylate.
What is the SMILES notation for (2-propylcyclopropyl) 3-formyl-3-propylpyrrolidine-1-carboxylate?
The canonical SMILES for (2-propylcyclopropyl) 3-formyl-3-propylpyrrolidine-1-carboxylate is CCCC1CC1OC(=O)N1CCC(C=O)(CCC)C1.
What is the InChIKey of (2-propylcyclopropyl) 3-formyl-3-propylpyrrolidine-1-carboxylate?
The InChIKey is DNENFXLPANCRIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO3/c1-3-5-12-9-13(12)19-14(18)16-8-7-15(10-16,11-17)6-4-2/h11-13H,3-10H2,1-2H3.
What are the key properties of (2-propylcyclopropyl) 3-formyl-3-propylpyrrolidine-1-carboxylate?
(2-propylcyclopropyl) 3-formyl-3-propylpyrrolidine-1-carboxylate has a molecular weight of 267.37 g/mol, XLogP of 3.00, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-propylcyclopropyl) 3-formyl-3-propylpyrrolidine-1-carboxylate is sourced from PubChem (CID 163524014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).