N-(1-amino-1-oxopropan-2-yl)-4-bromo-1-cyclopropylpyrrole-2-carboxamide

C11H14BrN3O2 — CID 43641687

IUPACN-(1-amino-1-oxopropan-2-yl)-4-bromo-1-cyclopropylpyrrole-2-carboxamide
SMILESCC(NC(=O)c1cc(Br)cn1C1CC1)C(N)=O
InChIInChI=1S/C11H14BrN3O2/c1-6(10(13)16)14-11(17)9-4-7(12)5-15(9)8-2-3-8/h4-6,8H,2-3H2,1H3,(H2,13,16)(H,14,17)
InChIKeyMYJNXABHFZAEIK-UHFFFAOYSA-N
MW300.16 g/mol
LogP1.19
Rot. Bonds4

About N-(1-amino-1-oxopropan-2-yl)-4-bromo-1-cyclopropylpyrrole-2-carboxamide

N-(1-amino-1-oxopropan-2-yl)-4-bromo-1-cyclopropylpyrrole-2-carboxamide (PubChem CID 43641687) has the molecular formula C11H14BrN3O2 and a molecular weight of 300.16 g/mol. Its IUPAC name is N-(1-amino-1-oxopropan-2-yl)-4-bromo-1-cyclopropylpyrrole-2-carboxamide.

Molecular Properties

Compound NameN-(1-amino-1-oxopropan-2-yl)-4-bromo-1-cyclopropylpyrrole-2-carboxamide
PubChem CID43641687
Molecular FormulaC11H14BrN3O2
Molecular Weight300.16 g/mol
Exact Mass299.03
IUPAC NameN-(1-amino-1-oxopropan-2-yl)-4-bromo-1-cyclopropylpyrrole-2-carboxamide
SMILESCC(NC(=O)c1cc(Br)cn1C1CC1)C(N)=O
InChIInChI=1S/C11H14BrN3O2/c1-6(10(13)16)14-11(17)9-4-7(12)5-15(9)8-2-3-8/h4-6,8H,2-3H2,1H3,(H2,13,16)(H,14,17)
InChIKeyMYJNXABHFZAEIK-UHFFFAOYSA-N
XLogP1.19
TPSA77.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.16
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-bromo-1-cyclopropylpyrrole-2-carbonyl)amino]propanoic acid
CID 43640386
4-bromo-1-cyclopropyl-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]pyrrole-2-carboxamide
CID 103110528
3-[(4-bromo-1-cyclopropylpyrrole-2-carbonyl)amino]butanoic acid
CID 43640405
4-bromo-N-(1-cyclohexylethyl)-1-cyclopropylpyrrole-2-carboxamide
CID 63524255
N-[1-(4-aminophenyl)ethyl]-4-bromo-1-cyclopropylpyrrole-2-carboxamide
CID 116650049
4-bromo-1-cyclopropyl-N-[1-(2-fluorophenyl)ethyl]pyrrole-2-carboxamide
CID 60933403
N-(2-amino-1-cyclohexylethyl)-4-bromo-1-cyclopropylpyrrole-2-carboxamide
CID 115309213
4-bromo-1-cyclopropyl-N-(1-propan-2-ylpiperidin-4-yl)pyrrole-2-carboxamide
CID 60954815
2-[(4-bromo-1-cyclopropylpyrrole-2-carbonyl)amino]-4-hydroxybutanoic acid
CID 61243692
2-[(4-bromo-1-cyclopropylpyrrole-2-carbonyl)amino]-4-methoxybutanoic acid
CID 62478782
N-(2-aminocyclopropyl)-4-bromo-1-cyclopropylpyrrole-2-carboxamide
CID 43640446
4-bromo-1-cyclopropyl-N-(3,5-dimethylphenyl)pyrrole-2-carboxamide
CID 43641085

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-1-oxopropan-2-yl)-4-bromo-1-cyclopropylpyrrole-2-carboxamide?
The IUPAC name of N-(1-amino-1-oxopropan-2-yl)-4-bromo-1-cyclopropylpyrrole-2-carboxamide (CID 43641687) is N-(1-amino-1-oxopropan-2-yl)-4-bromo-1-cyclopropylpyrrole-2-carboxamide.
What is the SMILES notation for N-(1-amino-1-oxopropan-2-yl)-4-bromo-1-cyclopropylpyrrole-2-carboxamide?
The canonical SMILES for N-(1-amino-1-oxopropan-2-yl)-4-bromo-1-cyclopropylpyrrole-2-carboxamide is CC(NC(=O)c1cc(Br)cn1C1CC1)C(N)=O.
What is the InChIKey of N-(1-amino-1-oxopropan-2-yl)-4-bromo-1-cyclopropylpyrrole-2-carboxamide?
The InChIKey is MYJNXABHFZAEIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrN3O2/c1-6(10(13)16)14-11(17)9-4-7(12)5-15(9)8-2-3-8/h4-6,8H,2-3H2,1H3,(H2,13,16)(H,14,17).
What are the key properties of N-(1-amino-1-oxopropan-2-yl)-4-bromo-1-cyclopropylpyrrole-2-carboxamide?
N-(1-amino-1-oxopropan-2-yl)-4-bromo-1-cyclopropylpyrrole-2-carboxamide has a molecular weight of 300.16 g/mol, XLogP of 1.19, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-1-oxopropan-2-yl)-4-bromo-1-cyclopropylpyrrole-2-carboxamide is sourced from PubChem (CID 43641687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).