4-bromo-1-methyl-N-(1-methylcyclopropyl)pyrrole-2-carboxamide

C10H13BrN2O — CID 115634355

IUPAC4-bromo-1-methyl-N-(1-methylcyclopropyl)pyrrole-2-carboxamide
SMILESCn1cc(Br)cc1C(=O)NC1(C)CC1
InChIInChI=1S/C10H13BrN2O/c1-10(3-4-10)12-9(14)8-5-7(11)6-13(8)2/h5-6H,3-4H2,1-2H3,(H,12,14)
InChIKeyHZILEQUBAMUXQR-UHFFFAOYSA-N
MW257.13 g/mol
LogP2.07
Rot. Bonds2

About 4-bromo-1-methyl-N-(1-methylcyclopropyl)pyrrole-2-carboxamide

4-bromo-1-methyl-N-(1-methylcyclopropyl)pyrrole-2-carboxamide (PubChem CID 115634355) has the molecular formula C10H13BrN2O and a molecular weight of 257.13 g/mol. Its IUPAC name is 4-bromo-1-methyl-N-(1-methylcyclopropyl)pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-bromo-1-methyl-N-(1-methylcyclopropyl)pyrrole-2-carboxamide
PubChem CID115634355
Molecular FormulaC10H13BrN2O
Molecular Weight257.13 g/mol
Exact Mass256.02
IUPAC Name4-bromo-1-methyl-N-(1-methylcyclopropyl)pyrrole-2-carboxamide
SMILESCn1cc(Br)cc1C(=O)NC1(C)CC1
InChIInChI=1S/C10H13BrN2O/c1-10(3-4-10)12-9(14)8-5-7(11)6-13(8)2/h5-6H,3-4H2,1-2H3,(H,12,14)
InChIKeyHZILEQUBAMUXQR-UHFFFAOYSA-N
XLogP2.07
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.13
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-methyl-N-(1-methylcyclopropyl)pyrrole-2-carboxamide?
The IUPAC name of 4-bromo-1-methyl-N-(1-methylcyclopropyl)pyrrole-2-carboxamide (CID 115634355) is 4-bromo-1-methyl-N-(1-methylcyclopropyl)pyrrole-2-carboxamide.
What is the SMILES notation for 4-bromo-1-methyl-N-(1-methylcyclopropyl)pyrrole-2-carboxamide?
The canonical SMILES for 4-bromo-1-methyl-N-(1-methylcyclopropyl)pyrrole-2-carboxamide is Cn1cc(Br)cc1C(=O)NC1(C)CC1.
What is the InChIKey of 4-bromo-1-methyl-N-(1-methylcyclopropyl)pyrrole-2-carboxamide?
The InChIKey is HZILEQUBAMUXQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN2O/c1-10(3-4-10)12-9(14)8-5-7(11)6-13(8)2/h5-6H,3-4H2,1-2H3,(H,12,14).
What are the key properties of 4-bromo-1-methyl-N-(1-methylcyclopropyl)pyrrole-2-carboxamide?
4-bromo-1-methyl-N-(1-methylcyclopropyl)pyrrole-2-carboxamide has a molecular weight of 257.13 g/mol, XLogP of 2.07, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-methyl-N-(1-methylcyclopropyl)pyrrole-2-carboxamide is sourced from PubChem (CID 115634355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).