N-cyclopropyl-N-ethyl-2-[3-(methylaminomethyl)pyrrol-1-yl]acetamide

C13H21N3O — CID 66406717

IUPACN-cyclopropyl-N-ethyl-2-[3-(methylaminomethyl)pyrrol-1-yl]acetamide
SMILESCCN(C(=O)Cn1ccc(CNC)c1)C1CC1
InChIInChI=1S/C13H21N3O/c1-3-16(12-4-5-12)13(17)10-15-7-6-11(9-15)8-14-2/h6-7,9,12,14H,3-5,8,10H2,1-2H3
InChIKeyHXHKWBVFBVSDQV-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.22
Rot. Bonds6

About N-cyclopropyl-N-ethyl-2-[3-(methylaminomethyl)pyrrol-1-yl]acetamide

N-cyclopropyl-N-ethyl-2-[3-(methylaminomethyl)pyrrol-1-yl]acetamide (PubChem CID 66406717) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is N-cyclopropyl-N-ethyl-2-[3-(methylaminomethyl)pyrrol-1-yl]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-N-ethyl-2-[3-(methylaminomethyl)pyrrol-1-yl]acetamide
PubChem CID66406717
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC NameN-cyclopropyl-N-ethyl-2-[3-(methylaminomethyl)pyrrol-1-yl]acetamide
SMILESCCN(C(=O)Cn1ccc(CNC)c1)C1CC1
InChIInChI=1S/C13H21N3O/c1-3-16(12-4-5-12)13(17)10-15-7-6-11(9-15)8-14-2/h6-7,9,12,14H,3-5,8,10H2,1-2H3
InChIKeyHXHKWBVFBVSDQV-UHFFFAOYSA-N
XLogP1.22
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.22
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-[3-(methylaminomethyl)pyrrol-1-yl]acetamide?
The IUPAC name of N-cyclopropyl-N-ethyl-2-[3-(methylaminomethyl)pyrrol-1-yl]acetamide (CID 66406717) is N-cyclopropyl-N-ethyl-2-[3-(methylaminomethyl)pyrrol-1-yl]acetamide.
What is the SMILES notation for N-cyclopropyl-N-ethyl-2-[3-(methylaminomethyl)pyrrol-1-yl]acetamide?
The canonical SMILES for N-cyclopropyl-N-ethyl-2-[3-(methylaminomethyl)pyrrol-1-yl]acetamide is CCN(C(=O)Cn1ccc(CNC)c1)C1CC1.
What is the InChIKey of N-cyclopropyl-N-ethyl-2-[3-(methylaminomethyl)pyrrol-1-yl]acetamide?
The InChIKey is HXHKWBVFBVSDQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-3-16(12-4-5-12)13(17)10-15-7-6-11(9-15)8-14-2/h6-7,9,12,14H,3-5,8,10H2,1-2H3.
What are the key properties of N-cyclopropyl-N-ethyl-2-[3-(methylaminomethyl)pyrrol-1-yl]acetamide?
N-cyclopropyl-N-ethyl-2-[3-(methylaminomethyl)pyrrol-1-yl]acetamide has a molecular weight of 235.33 g/mol, XLogP of 1.22, 6 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-[3-(methylaminomethyl)pyrrol-1-yl]acetamide is sourced from PubChem (CID 66406717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).