methyl 1-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)-5-propyltriazole-4-carboxylate

C14H22N4O3 — CID 103113726

IUPACmethyl 1-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)-5-propyltriazole-4-carboxylate
SMILESCCCc1c(C(=O)OC)nnn1C(C)C(=O)N1CCCC1
InChIInChI=1S/C14H22N4O3/c1-4-7-11-12(14(20)21-3)15-16-18(11)10(2)13(19)17-8-5-6-9-17/h10H,4-9H2,1-3H3
InChIKeyWZNJAKYYYZLRRI-UHFFFAOYSA-N
MW294.36 g/mol
LogP1.20
Rot. Bonds5

About methyl 1-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)-5-propyltriazole-4-carboxylate

methyl 1-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)-5-propyltriazole-4-carboxylate (PubChem CID 103113726) has the molecular formula C14H22N4O3 and a molecular weight of 294.36 g/mol. Its IUPAC name is methyl 1-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)-5-propyltriazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)-5-propyltriazole-4-carboxylate
PubChem CID103113726
Molecular FormulaC14H22N4O3
Molecular Weight294.36 g/mol
Exact Mass294.17
IUPAC Namemethyl 1-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)-5-propyltriazole-4-carboxylate
SMILESCCCc1c(C(=O)OC)nnn1C(C)C(=O)N1CCCC1
InChIInChI=1S/C14H22N4O3/c1-4-7-11-12(14(20)21-3)15-16-18(11)10(2)13(19)17-8-5-6-9-17/h10H,4-9H2,1-3H3
InChIKeyWZNJAKYYYZLRRI-UHFFFAOYSA-N
XLogP1.20
TPSA77.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 1-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)-5-propyltriazole-4-carboxylate?
The IUPAC name of methyl 1-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)-5-propyltriazole-4-carboxylate (CID 103113726) is methyl 1-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)-5-propyltriazole-4-carboxylate.
What is the SMILES notation for methyl 1-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)-5-propyltriazole-4-carboxylate?
The canonical SMILES for methyl 1-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)-5-propyltriazole-4-carboxylate is CCCc1c(C(=O)OC)nnn1C(C)C(=O)N1CCCC1.
What is the InChIKey of methyl 1-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)-5-propyltriazole-4-carboxylate?
The InChIKey is WZNJAKYYYZLRRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O3/c1-4-7-11-12(14(20)21-3)15-16-18(11)10(2)13(19)17-8-5-6-9-17/h10H,4-9H2,1-3H3.
What are the key properties of methyl 1-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)-5-propyltriazole-4-carboxylate?
methyl 1-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)-5-propyltriazole-4-carboxylate has a molecular weight of 294.36 g/mol, XLogP of 1.20, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)-5-propyltriazole-4-carboxylate is sourced from PubChem (CID 103113726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).