5-bromo-N-(1H-pyrrol-3-ylmethyl)pentanamide

C10H15BrN2O — CID 106384569

IUPAC5-bromo-N-(1H-pyrrol-3-ylmethyl)pentanamide
SMILESO=C(CCCCBr)NCc1cc[nH]c1
InChIInChI=1S/C10H15BrN2O/c11-5-2-1-3-10(14)13-8-9-4-6-12-7-9/h4,6-7,12H,1-3,5,8H2,(H,13,14)
InChIKeySNFFDWWUQKYETP-UHFFFAOYSA-N
MW259.15 g/mol
LogP2.20
Rot. Bonds6

About 5-bromo-N-(1H-pyrrol-3-ylmethyl)pentanamide

5-bromo-N-(1H-pyrrol-3-ylmethyl)pentanamide (PubChem CID 106384569) has the molecular formula C10H15BrN2O and a molecular weight of 259.15 g/mol. Its IUPAC name is 5-bromo-N-(1H-pyrrol-3-ylmethyl)pentanamide.

Molecular Properties

Compound Name5-bromo-N-(1H-pyrrol-3-ylmethyl)pentanamide
PubChem CID106384569
Molecular FormulaC10H15BrN2O
Molecular Weight259.15 g/mol
Exact Mass258.04
IUPAC Name5-bromo-N-(1H-pyrrol-3-ylmethyl)pentanamide
SMILESO=C(CCCCBr)NCc1cc[nH]c1
InChIInChI=1S/C10H15BrN2O/c11-5-2-1-3-10(14)13-8-9-4-6-12-7-9/h4,6-7,12H,1-3,5,8H2,(H,13,14)
InChIKeySNFFDWWUQKYETP-UHFFFAOYSA-N
XLogP2.20
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.15
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

7-amino-N-(1H-pyrrol-3-ylmethyl)heptanamide
CID 106384846
4-phenoxy-N-(1H-pyrrol-3-ylmethyl)butanamide
CID 110794136
N-(1H-pyrrol-3-ylmethyl)pent-4-ynamide
CID 106385371
3-methoxy-N-(1H-pyrrol-3-ylmethyl)propanamide
CID 106385639
N-(1H-pyrrol-3-ylmethyl)propanamide
CID 110782638
N-(1H-pyrrol-3-ylmethyl)but-3-enamide
CID 106385805
2-cyano-N-(1H-pyrrol-3-ylmethyl)acetamide
CID 106384971
3-(propan-2-ylamino)-N-(1H-pyrrol-3-ylmethyl)propanamide
CID 106384947
N-(1H-pyrrol-3-ylmethyl)but-3-ynamide
CID 106385791
5-bromo-N-[[4-(trifluoromethyl)phenyl]methyl]pentanamide
CID 114014911
5-bromo-N-[[3-(hydroxymethyl)phenyl]methyl]pentanamide
CID 107910785
2-bromo-2-methyl-N-(1H-pyrrol-3-ylmethyl)propanamide
CID 106384571

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(1H-pyrrol-3-ylmethyl)pentanamide?
The IUPAC name of 5-bromo-N-(1H-pyrrol-3-ylmethyl)pentanamide (CID 106384569) is 5-bromo-N-(1H-pyrrol-3-ylmethyl)pentanamide.
What is the SMILES notation for 5-bromo-N-(1H-pyrrol-3-ylmethyl)pentanamide?
The canonical SMILES for 5-bromo-N-(1H-pyrrol-3-ylmethyl)pentanamide is O=C(CCCCBr)NCc1cc[nH]c1.
What is the InChIKey of 5-bromo-N-(1H-pyrrol-3-ylmethyl)pentanamide?
The InChIKey is SNFFDWWUQKYETP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN2O/c11-5-2-1-3-10(14)13-8-9-4-6-12-7-9/h4,6-7,12H,1-3,5,8H2,(H,13,14).
What are the key properties of 5-bromo-N-(1H-pyrrol-3-ylmethyl)pentanamide?
5-bromo-N-(1H-pyrrol-3-ylmethyl)pentanamide has a molecular weight of 259.15 g/mol, XLogP of 2.20, 6 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(1H-pyrrol-3-ylmethyl)pentanamide is sourced from PubChem (CID 106384569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).