N-(5-hydroxyoxan-3-yl)-1-methylpyrrolidine-2-carboxamide;methanol

C12H24N2O4 — CID 176999469

IUPACN-(5-hydroxyoxan-3-yl)-1-methylpyrrolidine-2-carboxamide;methanol
SMILESCN1CCCC1C(=O)NC1COCC(O)C1.CO
InChIInChI=1S/C11H20N2O3.CH4O/c1-13-4-2-3-10(13)11(15)12-8-5-9(14)7-16-6-8;1-2/h8-10,14H,2-7H2,1H3,(H,12,15);2H,1H3
InChIKeyHVBUGPXIMSYIGB-UHFFFAOYSA-N
MW260.33 g/mol
LogP-1.04
Rot. Bonds2

About N-(5-hydroxyoxan-3-yl)-1-methylpyrrolidine-2-carboxamide;methanol

N-(5-hydroxyoxan-3-yl)-1-methylpyrrolidine-2-carboxamide;methanol (PubChem CID 176999469) has the molecular formula C12H24N2O4 and a molecular weight of 260.33 g/mol. Its IUPAC name is N-(5-hydroxyoxan-3-yl)-1-methylpyrrolidine-2-carboxamide;methanol.

Molecular Properties

Compound NameN-(5-hydroxyoxan-3-yl)-1-methylpyrrolidine-2-carboxamide;methanol
PubChem CID176999469
Molecular FormulaC12H24N2O4
Molecular Weight260.33 g/mol
Exact Mass260.17
IUPAC NameN-(5-hydroxyoxan-3-yl)-1-methylpyrrolidine-2-carboxamide;methanol
SMILESCN1CCCC1C(=O)NC1COCC(O)C1.CO
InChIInChI=1S/C11H20N2O3.CH4O/c1-13-4-2-3-10(13)11(15)12-8-5-9(14)7-16-6-8;1-2/h8-10,14H,2-7H2,1H3,(H,12,15);2H,1H3
InChIKeyHVBUGPXIMSYIGB-UHFFFAOYSA-N
XLogP-1.04
TPSA82.03 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.33
LogP ≤ 5-1.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-hydroxyoxan-3-yl)-1-methylpyrrolidine-2-carboxamide;methanol?
The IUPAC name of N-(5-hydroxyoxan-3-yl)-1-methylpyrrolidine-2-carboxamide;methanol (CID 176999469) is N-(5-hydroxyoxan-3-yl)-1-methylpyrrolidine-2-carboxamide;methanol.
What is the SMILES notation for N-(5-hydroxyoxan-3-yl)-1-methylpyrrolidine-2-carboxamide;methanol?
The canonical SMILES for N-(5-hydroxyoxan-3-yl)-1-methylpyrrolidine-2-carboxamide;methanol is CN1CCCC1C(=O)NC1COCC(O)C1.CO.
What is the InChIKey of N-(5-hydroxyoxan-3-yl)-1-methylpyrrolidine-2-carboxamide;methanol?
The InChIKey is HVBUGPXIMSYIGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3.CH4O/c1-13-4-2-3-10(13)11(15)12-8-5-9(14)7-16-6-8;1-2/h8-10,14H,2-7H2,1H3,(H,12,15);2H,1H3.
What are the key properties of N-(5-hydroxyoxan-3-yl)-1-methylpyrrolidine-2-carboxamide;methanol?
N-(5-hydroxyoxan-3-yl)-1-methylpyrrolidine-2-carboxamide;methanol has a molecular weight of 260.33 g/mol, XLogP of -1.04, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-hydroxyoxan-3-yl)-1-methylpyrrolidine-2-carboxamide;methanol is sourced from PubChem (CID 176999469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).