2-[ethenyl(methyl)amino]-1-[2-(hydroxymethyl)pyrrolidin-1-yl]ethanone

C10H18N2O2 — CID 123627783

IUPAC2-[ethenyl(methyl)amino]-1-[2-(hydroxymethyl)pyrrolidin-1-yl]ethanone
SMILESC=CN(C)CC(=O)N1CCCC1CO
InChIInChI=1S/C10H18N2O2/c1-3-11(2)7-10(14)12-6-4-5-9(12)8-13/h3,9,13H,1,4-8H2,2H3
InChIKeyFCMSGCDKNLVTQP-UHFFFAOYSA-N
MW198.27 g/mol
LogP0.05
Rot. Bonds4

About 2-[ethenyl(methyl)amino]-1-[2-(hydroxymethyl)pyrrolidin-1-yl]ethanone

2-[ethenyl(methyl)amino]-1-[2-(hydroxymethyl)pyrrolidin-1-yl]ethanone (PubChem CID 123627783) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is 2-[ethenyl(methyl)amino]-1-[2-(hydroxymethyl)pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name2-[ethenyl(methyl)amino]-1-[2-(hydroxymethyl)pyrrolidin-1-yl]ethanone
PubChem CID123627783
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC Name2-[ethenyl(methyl)amino]-1-[2-(hydroxymethyl)pyrrolidin-1-yl]ethanone
SMILESC=CN(C)CC(=O)N1CCCC1CO
InChIInChI=1S/C10H18N2O2/c1-3-11(2)7-10(14)12-6-4-5-9(12)8-13/h3,9,13H,1,4-8H2,2H3
InChIKeyFCMSGCDKNLVTQP-UHFFFAOYSA-N
XLogP0.05
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 50.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[ethenyl(methyl)amino]-1-[2-(hydroxymethyl)pyrrolidin-1-yl]ethanone?
The IUPAC name of 2-[ethenyl(methyl)amino]-1-[2-(hydroxymethyl)pyrrolidin-1-yl]ethanone (CID 123627783) is 2-[ethenyl(methyl)amino]-1-[2-(hydroxymethyl)pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 2-[ethenyl(methyl)amino]-1-[2-(hydroxymethyl)pyrrolidin-1-yl]ethanone?
The canonical SMILES for 2-[ethenyl(methyl)amino]-1-[2-(hydroxymethyl)pyrrolidin-1-yl]ethanone is C=CN(C)CC(=O)N1CCCC1CO.
What is the InChIKey of 2-[ethenyl(methyl)amino]-1-[2-(hydroxymethyl)pyrrolidin-1-yl]ethanone?
The InChIKey is FCMSGCDKNLVTQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2/c1-3-11(2)7-10(14)12-6-4-5-9(12)8-13/h3,9,13H,1,4-8H2,2H3.
What are the key properties of 2-[ethenyl(methyl)amino]-1-[2-(hydroxymethyl)pyrrolidin-1-yl]ethanone?
2-[ethenyl(methyl)amino]-1-[2-(hydroxymethyl)pyrrolidin-1-yl]ethanone has a molecular weight of 198.27 g/mol, XLogP of 0.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethenyl(methyl)amino]-1-[2-(hydroxymethyl)pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 123627783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).