methyl 1-methyl-3-propylpyrrolidine-3-carboxylate

C10H19NO2 — CID 126659392

IUPACmethyl 1-methyl-3-propylpyrrolidine-3-carboxylate
SMILESCCCC1(C(=O)OC)CCN(C)C1
InChIInChI=1S/C10H19NO2/c1-4-5-10(9(12)13-3)6-7-11(2)8-10/h4-8H2,1-3H3
InChIKeyHHVVPEKKVNOLPK-UHFFFAOYSA-N
MW185.27 g/mol
LogP1.28
Rot. Bonds3

About methyl 1-methyl-3-propylpyrrolidine-3-carboxylate

methyl 1-methyl-3-propylpyrrolidine-3-carboxylate (PubChem CID 126659392) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is methyl 1-methyl-3-propylpyrrolidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-methyl-3-propylpyrrolidine-3-carboxylate
PubChem CID126659392
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Namemethyl 1-methyl-3-propylpyrrolidine-3-carboxylate
SMILESCCCC1(C(=O)OC)CCN(C)C1
InChIInChI=1S/C10H19NO2/c1-4-5-10(9(12)13-3)6-7-11(2)8-10/h4-8H2,1-3H3
InChIKeyHHVVPEKKVNOLPK-UHFFFAOYSA-N
XLogP1.28
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 1-methyl-3-propylpyrrolidine-3-carboxylate?
The IUPAC name of methyl 1-methyl-3-propylpyrrolidine-3-carboxylate (CID 126659392) is methyl 1-methyl-3-propylpyrrolidine-3-carboxylate.
What is the SMILES notation for methyl 1-methyl-3-propylpyrrolidine-3-carboxylate?
The canonical SMILES for methyl 1-methyl-3-propylpyrrolidine-3-carboxylate is CCCC1(C(=O)OC)CCN(C)C1.
What is the InChIKey of methyl 1-methyl-3-propylpyrrolidine-3-carboxylate?
The InChIKey is HHVVPEKKVNOLPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-4-5-10(9(12)13-3)6-7-11(2)8-10/h4-8H2,1-3H3.
What are the key properties of methyl 1-methyl-3-propylpyrrolidine-3-carboxylate?
methyl 1-methyl-3-propylpyrrolidine-3-carboxylate has a molecular weight of 185.27 g/mol, XLogP of 1.28, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-methyl-3-propylpyrrolidine-3-carboxylate is sourced from PubChem (CID 126659392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).