(2S,4R)-1-methyl-4-propylpyrrolidine-2-carboxamide

C9H18N2O — CID 45116035

IUPAC(2S,4R)-1-methyl-4-propylpyrrolidine-2-carboxamide
SMILESCCC[C@@H]1C[C@@H](C(N)=O)N(C)C1
InChIInChI=1S/C9H18N2O/c1-3-4-7-5-8(9(10)12)11(2)6-7/h7-8H,3-6H2,1-2H3,(H2,10,12)/t7-,8+/m1/s1
InChIKeyXGRUMIVSCDLWCM-SFYZADRCSA-N
MW170.26 g/mol
LogP0.59
Rot. Bonds3

About (2S,4R)-1-methyl-4-propylpyrrolidine-2-carboxamide

(2S,4R)-1-methyl-4-propylpyrrolidine-2-carboxamide (PubChem CID 45116035) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is (2S,4R)-1-methyl-4-propylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4R)-1-methyl-4-propylpyrrolidine-2-carboxamide
PubChem CID45116035
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC Name(2S,4R)-1-methyl-4-propylpyrrolidine-2-carboxamide
SMILESCCC[C@@H]1C[C@@H](C(N)=O)N(C)C1
InChIInChI=1S/C9H18N2O/c1-3-4-7-5-8(9(10)12)11(2)6-7/h7-8H,3-6H2,1-2H3,(H2,10,12)/t7-,8+/m1/s1
InChIKeyXGRUMIVSCDLWCM-SFYZADRCSA-N
XLogP0.59
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S,4R)-1-methyl-4-propylpyrrolidine-2-carboxamide?
The IUPAC name of (2S,4R)-1-methyl-4-propylpyrrolidine-2-carboxamide (CID 45116035) is (2S,4R)-1-methyl-4-propylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4R)-1-methyl-4-propylpyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4R)-1-methyl-4-propylpyrrolidine-2-carboxamide is CCC[C@@H]1C[C@@H](C(N)=O)N(C)C1.
What is the InChIKey of (2S,4R)-1-methyl-4-propylpyrrolidine-2-carboxamide?
The InChIKey is XGRUMIVSCDLWCM-SFYZADRCSA-N. The full InChI is InChI=1S/C9H18N2O/c1-3-4-7-5-8(9(10)12)11(2)6-7/h7-8H,3-6H2,1-2H3,(H2,10,12)/t7-,8+/m1/s1.
What are the key properties of (2S,4R)-1-methyl-4-propylpyrrolidine-2-carboxamide?
(2S,4R)-1-methyl-4-propylpyrrolidine-2-carboxamide has a molecular weight of 170.26 g/mol, XLogP of 0.59, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-1-methyl-4-propylpyrrolidine-2-carboxamide is sourced from PubChem (CID 45116035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).