2-[3-(1-amino-2-methylpropyl)pyrrol-1-yl]acetamide

C10H17N3O — CID 79096871

IUPAC2-[3-(1-amino-2-methylpropyl)pyrrol-1-yl]acetamide
SMILESCC(C)C(N)c1ccn(CC(N)=O)c1
InChIInChI=1S/C10H17N3O/c1-7(2)10(12)8-3-4-13(5-8)6-9(11)14/h3-5,7,10H,6,12H2,1-2H3,(H2,11,14)
InChIKeyKHYCXAQRZXTWNN-UHFFFAOYSA-N
MW195.27 g/mol
LogP0.63
Rot. Bonds4

About 2-[3-(1-amino-2-methylpropyl)pyrrol-1-yl]acetamide

2-[3-(1-amino-2-methylpropyl)pyrrol-1-yl]acetamide (PubChem CID 79096871) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is 2-[3-(1-amino-2-methylpropyl)pyrrol-1-yl]acetamide.

Molecular Properties

Compound Name2-[3-(1-amino-2-methylpropyl)pyrrol-1-yl]acetamide
PubChem CID79096871
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name2-[3-(1-amino-2-methylpropyl)pyrrol-1-yl]acetamide
SMILESCC(C)C(N)c1ccn(CC(N)=O)c1
InChIInChI=1S/C10H17N3O/c1-7(2)10(12)8-3-4-13(5-8)6-9(11)14/h3-5,7,10H,6,12H2,1-2H3,(H2,11,14)
InChIKeyKHYCXAQRZXTWNN-UHFFFAOYSA-N
XLogP0.63
TPSA74.04 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(1-amino-2-methylpropyl)pyrrol-1-yl]acetamide?
The IUPAC name of 2-[3-(1-amino-2-methylpropyl)pyrrol-1-yl]acetamide (CID 79096871) is 2-[3-(1-amino-2-methylpropyl)pyrrol-1-yl]acetamide.
What is the SMILES notation for 2-[3-(1-amino-2-methylpropyl)pyrrol-1-yl]acetamide?
The canonical SMILES for 2-[3-(1-amino-2-methylpropyl)pyrrol-1-yl]acetamide is CC(C)C(N)c1ccn(CC(N)=O)c1.
What is the InChIKey of 2-[3-(1-amino-2-methylpropyl)pyrrol-1-yl]acetamide?
The InChIKey is KHYCXAQRZXTWNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-7(2)10(12)8-3-4-13(5-8)6-9(11)14/h3-5,7,10H,6,12H2,1-2H3,(H2,11,14).
What are the key properties of 2-[3-(1-amino-2-methylpropyl)pyrrol-1-yl]acetamide?
2-[3-(1-amino-2-methylpropyl)pyrrol-1-yl]acetamide has a molecular weight of 195.27 g/mol, XLogP of 0.63, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1-amino-2-methylpropyl)pyrrol-1-yl]acetamide is sourced from PubChem (CID 79096871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).