N-(2-methylcyclopropyl)-2-(1H-pyrrol-2-yl)acetamide

C10H14N2O — CID 130727409

IUPACN-(2-methylcyclopropyl)-2-(1H-pyrrol-2-yl)acetamide
SMILESCC1CC1NC(=O)Cc1ccc[nH]1
InChIInChI=1S/C10H14N2O/c1-7-5-9(7)12-10(13)6-8-3-2-4-11-8/h2-4,7,9,11H,5-6H2,1H3,(H,12,13)
InChIKeyOVTZTDKHQIMSRW-UHFFFAOYSA-N
MW178.24 g/mol
LogP1.08
Rot. Bonds3

About N-(2-methylcyclopropyl)-2-(1H-pyrrol-2-yl)acetamide

N-(2-methylcyclopropyl)-2-(1H-pyrrol-2-yl)acetamide (PubChem CID 130727409) has the molecular formula C10H14N2O and a molecular weight of 178.24 g/mol. Its IUPAC name is N-(2-methylcyclopropyl)-2-(1H-pyrrol-2-yl)acetamide.

Molecular Properties

Compound NameN-(2-methylcyclopropyl)-2-(1H-pyrrol-2-yl)acetamide
PubChem CID130727409
Molecular FormulaC10H14N2O
Molecular Weight178.24 g/mol
Exact Mass178.11
IUPAC NameN-(2-methylcyclopropyl)-2-(1H-pyrrol-2-yl)acetamide
SMILESCC1CC1NC(=O)Cc1ccc[nH]1
InChIInChI=1S/C10H14N2O/c1-7-5-9(7)12-10(13)6-8-3-2-4-11-8/h2-4,7,9,11H,5-6H2,1H3,(H,12,13)
InChIKeyOVTZTDKHQIMSRW-UHFFFAOYSA-N
XLogP1.08
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.24
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylcyclopropyl)-2-(1H-pyrrol-2-yl)acetamide?
The IUPAC name of N-(2-methylcyclopropyl)-2-(1H-pyrrol-2-yl)acetamide (CID 130727409) is N-(2-methylcyclopropyl)-2-(1H-pyrrol-2-yl)acetamide.
What is the SMILES notation for N-(2-methylcyclopropyl)-2-(1H-pyrrol-2-yl)acetamide?
The canonical SMILES for N-(2-methylcyclopropyl)-2-(1H-pyrrol-2-yl)acetamide is CC1CC1NC(=O)Cc1ccc[nH]1.
What is the InChIKey of N-(2-methylcyclopropyl)-2-(1H-pyrrol-2-yl)acetamide?
The InChIKey is OVTZTDKHQIMSRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O/c1-7-5-9(7)12-10(13)6-8-3-2-4-11-8/h2-4,7,9,11H,5-6H2,1H3,(H,12,13).
What are the key properties of N-(2-methylcyclopropyl)-2-(1H-pyrrol-2-yl)acetamide?
N-(2-methylcyclopropyl)-2-(1H-pyrrol-2-yl)acetamide has a molecular weight of 178.24 g/mol, XLogP of 1.08, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylcyclopropyl)-2-(1H-pyrrol-2-yl)acetamide is sourced from PubChem (CID 130727409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).