2-[2-(hydroxymethyl)pyrrol-1-yl]-N-propan-2-ylacetamide

C10H16N2O2 — CID 66399323

IUPAC2-[2-(hydroxymethyl)pyrrol-1-yl]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)Cn1cccc1CO
InChIInChI=1S/C10H16N2O2/c1-8(2)11-10(14)6-12-5-3-4-9(12)7-13/h3-5,8,13H,6-7H2,1-2H3,(H,11,14)
InChIKeyZFRRMBDNWHTUNY-UHFFFAOYSA-N
MW196.25 g/mol
LogP0.50
Rot. Bonds4

About 2-[2-(hydroxymethyl)pyrrol-1-yl]-N-propan-2-ylacetamide

2-[2-(hydroxymethyl)pyrrol-1-yl]-N-propan-2-ylacetamide (PubChem CID 66399323) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is 2-[2-(hydroxymethyl)pyrrol-1-yl]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[2-(hydroxymethyl)pyrrol-1-yl]-N-propan-2-ylacetamide
PubChem CID66399323
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Name2-[2-(hydroxymethyl)pyrrol-1-yl]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)Cn1cccc1CO
InChIInChI=1S/C10H16N2O2/c1-8(2)11-10(14)6-12-5-3-4-9(12)7-13/h3-5,8,13H,6-7H2,1-2H3,(H,11,14)
InChIKeyZFRRMBDNWHTUNY-UHFFFAOYSA-N
XLogP0.50
TPSA54.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-[(cyclopropylamino)methyl]pyrrol-1-yl]-N-propan-2-ylacetamide
CID 66402406
2-[2-[(2-methoxyethylamino)methyl]pyrrol-1-yl]-N-propan-2-ylacetamide
CID 66401085
2-(2-formylpyrrol-1-yl)-N-propan-2-ylacetamide
CID 66408770
2-[2-(ethylaminomethyl)pyrrol-1-yl]-N-(3-methylbutan-2-yl)acetamide
CID 66402539
N-(4-fluorophenyl)-2-[2-(hydroxymethyl)pyrrol-1-yl]acetamide
CID 66399525
N-ethyl-2-[2-[(propan-2-ylamino)methyl]pyrrol-1-yl]acetamide
CID 66401597
2-[2-[(cyclopropylamino)methyl]pyrrol-1-yl]-N-pentan-2-ylacetamide
CID 66401026
N-pentan-2-yl-2-[2-(propylaminomethyl)pyrrol-1-yl]acetamide
CID 66401184
2-(2-oxo-1H-imidazol-3-yl)-N-propan-2-ylacetamide
CID 103125257
N-pentan-3-yl-2-[2-(propylaminomethyl)pyrrol-1-yl]acetamide
CID 66402553
2-(4-bromoindol-1-yl)-N-propan-2-ylacetamide
CID 116626047
2-[2-(methylaminomethyl)pyrrol-1-yl]-N-(2-methylpropyl)acetamide
CID 66402131

Frequently Asked Questions

What is the IUPAC name of 2-[2-(hydroxymethyl)pyrrol-1-yl]-N-propan-2-ylacetamide?
The IUPAC name of 2-[2-(hydroxymethyl)pyrrol-1-yl]-N-propan-2-ylacetamide (CID 66399323) is 2-[2-(hydroxymethyl)pyrrol-1-yl]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[2-(hydroxymethyl)pyrrol-1-yl]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[2-(hydroxymethyl)pyrrol-1-yl]-N-propan-2-ylacetamide is CC(C)NC(=O)Cn1cccc1CO.
What is the InChIKey of 2-[2-(hydroxymethyl)pyrrol-1-yl]-N-propan-2-ylacetamide?
The InChIKey is ZFRRMBDNWHTUNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-8(2)11-10(14)6-12-5-3-4-9(12)7-13/h3-5,8,13H,6-7H2,1-2H3,(H,11,14).
What are the key properties of 2-[2-(hydroxymethyl)pyrrol-1-yl]-N-propan-2-ylacetamide?
2-[2-(hydroxymethyl)pyrrol-1-yl]-N-propan-2-ylacetamide has a molecular weight of 196.25 g/mol, XLogP of 0.50, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(hydroxymethyl)pyrrol-1-yl]-N-propan-2-ylacetamide is sourced from PubChem (CID 66399323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).