N-(1-cyclopropylethyl)-1H-pyrrole-3-carboxamide

C10H14N2O — CID 131176905

IUPACN-(1-cyclopropylethyl)-1H-pyrrole-3-carboxamide
SMILESCC(NC(=O)c1cc[nH]c1)C1CC1
InChIInChI=1S/C10H14N2O/c1-7(8-2-3-8)12-10(13)9-4-5-11-6-9/h4-8,11H,2-3H2,1H3,(H,12,13)
InChIKeyOHDYONQSMZRDBY-UHFFFAOYSA-N
MW178.24 g/mol
LogP1.54
Rot. Bonds3

About N-(1-cyclopropylethyl)-1H-pyrrole-3-carboxamide

N-(1-cyclopropylethyl)-1H-pyrrole-3-carboxamide (PubChem CID 131176905) has the molecular formula C10H14N2O and a molecular weight of 178.24 g/mol. Its IUPAC name is N-(1-cyclopropylethyl)-1H-pyrrole-3-carboxamide.

Molecular Properties

Compound NameN-(1-cyclopropylethyl)-1H-pyrrole-3-carboxamide
PubChem CID131176905
Molecular FormulaC10H14N2O
Molecular Weight178.24 g/mol
Exact Mass178.11
IUPAC NameN-(1-cyclopropylethyl)-1H-pyrrole-3-carboxamide
SMILESCC(NC(=O)c1cc[nH]c1)C1CC1
InChIInChI=1S/C10H14N2O/c1-7(8-2-3-8)12-10(13)9-4-5-11-6-9/h4-8,11H,2-3H2,1H3,(H,12,13)
InChIKeyOHDYONQSMZRDBY-UHFFFAOYSA-N
XLogP1.54
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 ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylethyl)-1H-pyrrole-3-carboxamide?
The IUPAC name of N-(1-cyclopropylethyl)-1H-pyrrole-3-carboxamide (CID 131176905) is N-(1-cyclopropylethyl)-1H-pyrrole-3-carboxamide.
What is the SMILES notation for N-(1-cyclopropylethyl)-1H-pyrrole-3-carboxamide?
The canonical SMILES for N-(1-cyclopropylethyl)-1H-pyrrole-3-carboxamide is CC(NC(=O)c1cc[nH]c1)C1CC1.
What is the InChIKey of N-(1-cyclopropylethyl)-1H-pyrrole-3-carboxamide?
The InChIKey is OHDYONQSMZRDBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O/c1-7(8-2-3-8)12-10(13)9-4-5-11-6-9/h4-8,11H,2-3H2,1H3,(H,12,13).
What are the key properties of N-(1-cyclopropylethyl)-1H-pyrrole-3-carboxamide?
N-(1-cyclopropylethyl)-1H-pyrrole-3-carboxamide has a molecular weight of 178.24 g/mol, XLogP of 1.54, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropylethyl)-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 131176905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).