N-cyclopropyl-N-ethyl-2-[2-(hydroxymethyl)pyrrol-1-yl]acetamide

C12H18N2O2 — CID 66399317

IUPACN-cyclopropyl-N-ethyl-2-[2-(hydroxymethyl)pyrrol-1-yl]acetamide
SMILESCCN(C(=O)Cn1cccc1CO)C1CC1
InChIInChI=1S/C12H18N2O2/c1-2-14(10-5-6-10)12(16)8-13-7-3-4-11(13)9-15/h3-4,7,10,15H,2,5-6,8-9H2,1H3
InChIKeyLTARPRXWSZCOLF-UHFFFAOYSA-N
MW222.29 g/mol
LogP0.99
Rot. Bonds5

About N-cyclopropyl-N-ethyl-2-[2-(hydroxymethyl)pyrrol-1-yl]acetamide

N-cyclopropyl-N-ethyl-2-[2-(hydroxymethyl)pyrrol-1-yl]acetamide (PubChem CID 66399317) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is N-cyclopropyl-N-ethyl-2-[2-(hydroxymethyl)pyrrol-1-yl]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-N-ethyl-2-[2-(hydroxymethyl)pyrrol-1-yl]acetamide
PubChem CID66399317
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC NameN-cyclopropyl-N-ethyl-2-[2-(hydroxymethyl)pyrrol-1-yl]acetamide
SMILESCCN(C(=O)Cn1cccc1CO)C1CC1
InChIInChI=1S/C12H18N2O2/c1-2-14(10-5-6-10)12(16)8-13-7-3-4-11(13)9-15/h3-4,7,10,15H,2,5-6,8-9H2,1H3
InChIKeyLTARPRXWSZCOLF-UHFFFAOYSA-N
XLogP0.99
TPSA45.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-ethyl-2-[2-(hydroxymethyl)pyrrol-1-yl]acetamide?
The IUPAC name of N-cyclopropyl-N-ethyl-2-[2-(hydroxymethyl)pyrrol-1-yl]acetamide (CID 66399317) is N-cyclopropyl-N-ethyl-2-[2-(hydroxymethyl)pyrrol-1-yl]acetamide.
What is the SMILES notation for N-cyclopropyl-N-ethyl-2-[2-(hydroxymethyl)pyrrol-1-yl]acetamide?
The canonical SMILES for N-cyclopropyl-N-ethyl-2-[2-(hydroxymethyl)pyrrol-1-yl]acetamide is CCN(C(=O)Cn1cccc1CO)C1CC1.
What is the InChIKey of N-cyclopropyl-N-ethyl-2-[2-(hydroxymethyl)pyrrol-1-yl]acetamide?
The InChIKey is LTARPRXWSZCOLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-2-14(10-5-6-10)12(16)8-13-7-3-4-11(13)9-15/h3-4,7,10,15H,2,5-6,8-9H2,1H3.
What are the key properties of N-cyclopropyl-N-ethyl-2-[2-(hydroxymethyl)pyrrol-1-yl]acetamide?
N-cyclopropyl-N-ethyl-2-[2-(hydroxymethyl)pyrrol-1-yl]acetamide has a molecular weight of 222.29 g/mol, XLogP of 0.99, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-ethyl-2-[2-(hydroxymethyl)pyrrol-1-yl]acetamide is sourced from PubChem (CID 66399317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).