N-[[1-(hydroxymethyl)cyclopropyl]methyl]-N-methyl-5-oxopyrrolidine-3-carboxamide

C11H18N2O3 — CID 136534386

IUPACN-[[1-(hydroxymethyl)cyclopropyl]methyl]-N-methyl-5-oxopyrrolidine-3-carboxamide
SMILESCN(CC1(CO)CC1)C(=O)C1CNC(=O)C1
InChIInChI=1S/C11H18N2O3/c1-13(6-11(7-14)2-3-11)10(16)8-4-9(15)12-5-8/h8,14H,2-7H2,1H3,(H,12,15)
InChIKeyZFKZZEVZLRMEOK-UHFFFAOYSA-N
MW226.28 g/mol
LogP-0.65
Rot. Bonds4

About N-[[1-(hydroxymethyl)cyclopropyl]methyl]-N-methyl-5-oxopyrrolidine-3-carboxamide

N-[[1-(hydroxymethyl)cyclopropyl]methyl]-N-methyl-5-oxopyrrolidine-3-carboxamide (PubChem CID 136534386) has the molecular formula C11H18N2O3 and a molecular weight of 226.28 g/mol. Its IUPAC name is N-[[1-(hydroxymethyl)cyclopropyl]methyl]-N-methyl-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[[1-(hydroxymethyl)cyclopropyl]methyl]-N-methyl-5-oxopyrrolidine-3-carboxamide
PubChem CID136534386
Molecular FormulaC11H18N2O3
Molecular Weight226.28 g/mol
Exact Mass226.13
IUPAC NameN-[[1-(hydroxymethyl)cyclopropyl]methyl]-N-methyl-5-oxopyrrolidine-3-carboxamide
SMILESCN(CC1(CO)CC1)C(=O)C1CNC(=O)C1
InChIInChI=1S/C11H18N2O3/c1-13(6-11(7-14)2-3-11)10(16)8-4-9(15)12-5-8/h8,14H,2-7H2,1H3,(H,12,15)
InChIKeyZFKZZEVZLRMEOK-UHFFFAOYSA-N
XLogP-0.65
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 5-0.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(hydroxymethyl)cyclopropyl]methyl]-N-methyl-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-[[1-(hydroxymethyl)cyclopropyl]methyl]-N-methyl-5-oxopyrrolidine-3-carboxamide (CID 136534386) is N-[[1-(hydroxymethyl)cyclopropyl]methyl]-N-methyl-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-[[1-(hydroxymethyl)cyclopropyl]methyl]-N-methyl-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-[[1-(hydroxymethyl)cyclopropyl]methyl]-N-methyl-5-oxopyrrolidine-3-carboxamide is CN(CC1(CO)CC1)C(=O)C1CNC(=O)C1.
What is the InChIKey of N-[[1-(hydroxymethyl)cyclopropyl]methyl]-N-methyl-5-oxopyrrolidine-3-carboxamide?
The InChIKey is ZFKZZEVZLRMEOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3/c1-13(6-11(7-14)2-3-11)10(16)8-4-9(15)12-5-8/h8,14H,2-7H2,1H3,(H,12,15).
What are the key properties of N-[[1-(hydroxymethyl)cyclopropyl]methyl]-N-methyl-5-oxopyrrolidine-3-carboxamide?
N-[[1-(hydroxymethyl)cyclopropyl]methyl]-N-methyl-5-oxopyrrolidine-3-carboxamide has a molecular weight of 226.28 g/mol, XLogP of -0.65, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(hydroxymethyl)cyclopropyl]methyl]-N-methyl-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 136534386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).