2-[3-[cyclopropyl(hydroxy)methyl]pyrrol-1-yl]-N,N-dimethylacetamide

C12H18N2O2 — CID 79103534

IUPAC2-[3-[cyclopropyl(hydroxy)methyl]pyrrol-1-yl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)Cn1ccc(C(O)C2CC2)c1
InChIInChI=1S/C12H18N2O2/c1-13(2)11(15)8-14-6-5-10(7-14)12(16)9-3-4-9/h5-7,9,12,16H,3-4,8H2,1-2H3
InChIKeyRGWUCHDJAFBPBJ-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.02
Rot. Bonds4

About 2-[3-[cyclopropyl(hydroxy)methyl]pyrrol-1-yl]-N,N-dimethylacetamide

2-[3-[cyclopropyl(hydroxy)methyl]pyrrol-1-yl]-N,N-dimethylacetamide (PubChem CID 79103534) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 2-[3-[cyclopropyl(hydroxy)methyl]pyrrol-1-yl]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[3-[cyclopropyl(hydroxy)methyl]pyrrol-1-yl]-N,N-dimethylacetamide
PubChem CID79103534
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name2-[3-[cyclopropyl(hydroxy)methyl]pyrrol-1-yl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)Cn1ccc(C(O)C2CC2)c1
InChIInChI=1S/C12H18N2O2/c1-13(2)11(15)8-14-6-5-10(7-14)12(16)9-3-4-9/h5-7,9,12,16H,3-4,8H2,1-2H3
InChIKeyRGWUCHDJAFBPBJ-UHFFFAOYSA-N
XLogP1.02
TPSA45.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[cyclopropyl(hydroxy)methyl]pyrrol-1-yl]-N,N-dimethylacetamide?
The IUPAC name of 2-[3-[cyclopropyl(hydroxy)methyl]pyrrol-1-yl]-N,N-dimethylacetamide (CID 79103534) is 2-[3-[cyclopropyl(hydroxy)methyl]pyrrol-1-yl]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[3-[cyclopropyl(hydroxy)methyl]pyrrol-1-yl]-N,N-dimethylacetamide?
The canonical SMILES for 2-[3-[cyclopropyl(hydroxy)methyl]pyrrol-1-yl]-N,N-dimethylacetamide is CN(C)C(=O)Cn1ccc(C(O)C2CC2)c1.
What is the InChIKey of 2-[3-[cyclopropyl(hydroxy)methyl]pyrrol-1-yl]-N,N-dimethylacetamide?
The InChIKey is RGWUCHDJAFBPBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-13(2)11(15)8-14-6-5-10(7-14)12(16)9-3-4-9/h5-7,9,12,16H,3-4,8H2,1-2H3.
What are the key properties of 2-[3-[cyclopropyl(hydroxy)methyl]pyrrol-1-yl]-N,N-dimethylacetamide?
2-[3-[cyclopropyl(hydroxy)methyl]pyrrol-1-yl]-N,N-dimethylacetamide has a molecular weight of 222.29 g/mol, XLogP of 1.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[cyclopropyl(hydroxy)methyl]pyrrol-1-yl]-N,N-dimethylacetamide is sourced from PubChem (CID 79103534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).