N-(3-bromopropyl)cyclobutanecarboxamide

C8H14BrNO — CID 43133631

IUPACN-(3-bromopropyl)cyclobutanecarboxamide
SMILESO=C(NCCCBr)C1CCC1
InChIInChI=1S/C8H14BrNO/c9-5-2-6-10-8(11)7-3-1-4-7/h7H,1-6H2,(H,10,11)
InChIKeyNXGINQCUKYTSEV-UHFFFAOYSA-N
MW220.11 g/mol
LogP1.69
Rot. Bonds4

About N-(3-bromopropyl)cyclobutanecarboxamide

N-(3-bromopropyl)cyclobutanecarboxamide (PubChem CID 43133631) has the molecular formula C8H14BrNO and a molecular weight of 220.11 g/mol. Its IUPAC name is N-(3-bromopropyl)cyclobutanecarboxamide.

Molecular Properties

Compound NameN-(3-bromopropyl)cyclobutanecarboxamide
PubChem CID43133631
Molecular FormulaC8H14BrNO
Molecular Weight220.11 g/mol
Exact Mass219.03
IUPAC NameN-(3-bromopropyl)cyclobutanecarboxamide
SMILESO=C(NCCCBr)C1CCC1
InChIInChI=1S/C8H14BrNO/c9-5-2-6-10-8(11)7-3-1-4-7/h7H,1-6H2,(H,10,11)
InChIKeyNXGINQCUKYTSEV-UHFFFAOYSA-N
XLogP1.69
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.11
LogP ≤ 51.69
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of N-(3-bromopropyl)cyclobutanecarboxamide?
The IUPAC name of N-(3-bromopropyl)cyclobutanecarboxamide (CID 43133631) is N-(3-bromopropyl)cyclobutanecarboxamide.
What is the SMILES notation for N-(3-bromopropyl)cyclobutanecarboxamide?
The canonical SMILES for N-(3-bromopropyl)cyclobutanecarboxamide is O=C(NCCCBr)C1CCC1.
What is the InChIKey of N-(3-bromopropyl)cyclobutanecarboxamide?
The InChIKey is NXGINQCUKYTSEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14BrNO/c9-5-2-6-10-8(11)7-3-1-4-7/h7H,1-6H2,(H,10,11).
What are the key properties of N-(3-bromopropyl)cyclobutanecarboxamide?
N-(3-bromopropyl)cyclobutanecarboxamide has a molecular weight of 220.11 g/mol, XLogP of 1.69, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromopropyl)cyclobutanecarboxamide is sourced from PubChem (CID 43133631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).