(2R)-1,2-dimethylpyrrolidine;ethane;methanol;methyl pyrrolidine-1-carboxylate

C15H34N2O3 — CID 170572335

IUPAC(2R)-1,2-dimethylpyrrolidine;ethane;methanol;methyl pyrrolidine-1-carboxylate
SMILESCC.CO.COC(=O)N1CCCC1.C[C@@H]1CCCN1C
InChIInChI=1S/C6H11NO2.C6H13N.C2H6.CH4O/c1-9-6(8)7-4-2-3-5-7;1-6-4-3-5-7(6)2;2*1-2/h2-5H2,1H3;6H,3-5H2,1-2H3;1-2H3;2H,1H3/t;6-;;/m.1../s1
InChIKeySESAKVWOOJOXRQ-NAFLYESMSA-N
MW290.45 g/mol
LogP2.58
Rot. Bonds

About (2R)-1,2-dimethylpyrrolidine;ethane;methanol;methyl pyrrolidine-1-carboxylate

(2R)-1,2-dimethylpyrrolidine;ethane;methanol;methyl pyrrolidine-1-carboxylate (PubChem CID 170572335) has the molecular formula C15H34N2O3 and a molecular weight of 290.45 g/mol. Its IUPAC name is (2R)-1,2-dimethylpyrrolidine;ethane;methanol;methyl pyrrolidine-1-carboxylate.

Molecular Properties

Compound Name(2R)-1,2-dimethylpyrrolidine;ethane;methanol;methyl pyrrolidine-1-carboxylate
PubChem CID170572335
Molecular FormulaC15H34N2O3
Molecular Weight290.45 g/mol
Exact Mass290.26
IUPAC Name(2R)-1,2-dimethylpyrrolidine;ethane;methanol;methyl pyrrolidine-1-carboxylate
SMILESCC.CO.COC(=O)N1CCCC1.C[C@@H]1CCCN1C
InChIInChI=1S/C6H11NO2.C6H13N.C2H6.CH4O/c1-9-6(8)7-4-2-3-5-7;1-6-4-3-5-7(6)2;2*1-2/h2-5H2,1H3;6H,3-5H2,1-2H3;1-2H3;2H,1H3/t;6-;;/m.1../s1
InChIKeySESAKVWOOJOXRQ-NAFLYESMSA-N
XLogP2.58
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-1,2-dimethylpyrrolidine;ethane;methanol;methyl pyrrolidine-1-carboxylate?
The IUPAC name of (2R)-1,2-dimethylpyrrolidine;ethane;methanol;methyl pyrrolidine-1-carboxylate (CID 170572335) is (2R)-1,2-dimethylpyrrolidine;ethane;methanol;methyl pyrrolidine-1-carboxylate.
What is the SMILES notation for (2R)-1,2-dimethylpyrrolidine;ethane;methanol;methyl pyrrolidine-1-carboxylate?
The canonical SMILES for (2R)-1,2-dimethylpyrrolidine;ethane;methanol;methyl pyrrolidine-1-carboxylate is CC.CO.COC(=O)N1CCCC1.C[C@@H]1CCCN1C.
What is the InChIKey of (2R)-1,2-dimethylpyrrolidine;ethane;methanol;methyl pyrrolidine-1-carboxylate?
The InChIKey is SESAKVWOOJOXRQ-NAFLYESMSA-N. The full InChI is InChI=1S/C6H11NO2.C6H13N.C2H6.CH4O/c1-9-6(8)7-4-2-3-5-7;1-6-4-3-5-7(6)2;2*1-2/h2-5H2,1H3;6H,3-5H2,1-2H3;1-2H3;2H,1H3/t;6-;;/m.1../s1.
What are the key properties of (2R)-1,2-dimethylpyrrolidine;ethane;methanol;methyl pyrrolidine-1-carboxylate?
(2R)-1,2-dimethylpyrrolidine;ethane;methanol;methyl pyrrolidine-1-carboxylate has a molecular weight of 290.45 g/mol, XLogP of 2.58, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1,2-dimethylpyrrolidine;ethane;methanol;methyl pyrrolidine-1-carboxylate is sourced from PubChem (CID 170572335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).