2-(3,4-dihydro-2H-pyrrol-5-ylamino)acetamide

C6H11N3O — CID 79508754

IUPAC2-(3,4-dihydro-2H-pyrrol-5-ylamino)acetamide
SMILESNC(=O)CNC1=NCCC1
InChIInChI=1S/C6H11N3O/c7-5(10)4-9-6-2-1-3-8-6/h1-4H2,(H2,7,10)(H,8,9)
InChIKeyMWUXVTVCVZFWBX-UHFFFAOYSA-N
MW141.17 g/mol
LogP-0.75
Rot. Bonds2

About 2-(3,4-dihydro-2H-pyrrol-5-ylamino)acetamide

2-(3,4-dihydro-2H-pyrrol-5-ylamino)acetamide (PubChem CID 79508754) has the molecular formula C6H11N3O and a molecular weight of 141.17 g/mol. Its IUPAC name is 2-(3,4-dihydro-2H-pyrrol-5-ylamino)acetamide.

Molecular Properties

Compound Name2-(3,4-dihydro-2H-pyrrol-5-ylamino)acetamide
PubChem CID79508754
Molecular FormulaC6H11N3O
Molecular Weight141.17 g/mol
Exact Mass141.09
IUPAC Name2-(3,4-dihydro-2H-pyrrol-5-ylamino)acetamide
SMILESNC(=O)CNC1=NCCC1
InChIInChI=1S/C6H11N3O/c7-5(10)4-9-6-2-1-3-8-6/h1-4H2,(H2,7,10)(H,8,9)
InChIKeyMWUXVTVCVZFWBX-UHFFFAOYSA-N
XLogP-0.75
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 5-0.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydro-2H-pyrrol-5-ylamino)acetamide?
The IUPAC name of 2-(3,4-dihydro-2H-pyrrol-5-ylamino)acetamide (CID 79508754) is 2-(3,4-dihydro-2H-pyrrol-5-ylamino)acetamide.
What is the SMILES notation for 2-(3,4-dihydro-2H-pyrrol-5-ylamino)acetamide?
The canonical SMILES for 2-(3,4-dihydro-2H-pyrrol-5-ylamino)acetamide is NC(=O)CNC1=NCCC1.
What is the InChIKey of 2-(3,4-dihydro-2H-pyrrol-5-ylamino)acetamide?
The InChIKey is MWUXVTVCVZFWBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3O/c7-5(10)4-9-6-2-1-3-8-6/h1-4H2,(H2,7,10)(H,8,9).
What are the key properties of 2-(3,4-dihydro-2H-pyrrol-5-ylamino)acetamide?
2-(3,4-dihydro-2H-pyrrol-5-ylamino)acetamide has a molecular weight of 141.17 g/mol, XLogP of -0.75, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydro-2H-pyrrol-5-ylamino)acetamide is sourced from PubChem (CID 79508754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).