2-(hydroxymethyl)-N-methyl-N-(1H-pyrrol-2-yl)butanamide

C10H16N2O2 — CID 115186463

IUPAC2-(hydroxymethyl)-N-methyl-N-(1H-pyrrol-2-yl)butanamide
SMILESCCC(CO)C(=O)N(C)c1ccc[nH]1
InChIInChI=1S/C10H16N2O2/c1-3-8(7-13)10(14)12(2)9-5-4-6-11-9/h4-6,8,11,13H,3,7H2,1-2H3
InChIKeyKAJHSZSKPQOAMC-UHFFFAOYSA-N
MW196.25 g/mol
LogP1.00
Rot. Bonds4

About 2-(hydroxymethyl)-N-methyl-N-(1H-pyrrol-2-yl)butanamide

2-(hydroxymethyl)-N-methyl-N-(1H-pyrrol-2-yl)butanamide (PubChem CID 115186463) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is 2-(hydroxymethyl)-N-methyl-N-(1H-pyrrol-2-yl)butanamide.

Molecular Properties

Compound Name2-(hydroxymethyl)-N-methyl-N-(1H-pyrrol-2-yl)butanamide
PubChem CID115186463
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Name2-(hydroxymethyl)-N-methyl-N-(1H-pyrrol-2-yl)butanamide
SMILESCCC(CO)C(=O)N(C)c1ccc[nH]1
InChIInChI=1S/C10H16N2O2/c1-3-8(7-13)10(14)12(2)9-5-4-6-11-9/h4-6,8,11,13H,3,7H2,1-2H3
InChIKeyKAJHSZSKPQOAMC-UHFFFAOYSA-N
XLogP1.00
TPSA56.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-N-methyl-N-(1H-pyrrol-2-yl)butanamide?
The IUPAC name of 2-(hydroxymethyl)-N-methyl-N-(1H-pyrrol-2-yl)butanamide (CID 115186463) is 2-(hydroxymethyl)-N-methyl-N-(1H-pyrrol-2-yl)butanamide.
What is the SMILES notation for 2-(hydroxymethyl)-N-methyl-N-(1H-pyrrol-2-yl)butanamide?
The canonical SMILES for 2-(hydroxymethyl)-N-methyl-N-(1H-pyrrol-2-yl)butanamide is CCC(CO)C(=O)N(C)c1ccc[nH]1.
What is the InChIKey of 2-(hydroxymethyl)-N-methyl-N-(1H-pyrrol-2-yl)butanamide?
The InChIKey is KAJHSZSKPQOAMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-3-8(7-13)10(14)12(2)9-5-4-6-11-9/h4-6,8,11,13H,3,7H2,1-2H3.
What are the key properties of 2-(hydroxymethyl)-N-methyl-N-(1H-pyrrol-2-yl)butanamide?
2-(hydroxymethyl)-N-methyl-N-(1H-pyrrol-2-yl)butanamide has a molecular weight of 196.25 g/mol, XLogP of 1.00, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-N-methyl-N-(1H-pyrrol-2-yl)butanamide is sourced from PubChem (CID 115186463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).