N-(3-bromopropyl)cyclopentanecarboxamide

C9H16BrNO — CID 43133630

IUPACN-(3-bromopropyl)cyclopentanecarboxamide
SMILESO=C(NCCCBr)C1CCCC1
InChIInChI=1S/C9H16BrNO/c10-6-3-7-11-9(12)8-4-1-2-5-8/h8H,1-7H2,(H,11,12)
InChIKeyIEISQDGRGXKLEJ-UHFFFAOYSA-N
MW234.14 g/mol
LogP2.08
Rot. Bonds4

About N-(3-bromopropyl)cyclopentanecarboxamide

N-(3-bromopropyl)cyclopentanecarboxamide (PubChem CID 43133630) has the molecular formula C9H16BrNO and a molecular weight of 234.14 g/mol. Its IUPAC name is N-(3-bromopropyl)cyclopentanecarboxamide.

Molecular Properties

Compound NameN-(3-bromopropyl)cyclopentanecarboxamide
PubChem CID43133630
Molecular FormulaC9H16BrNO
Molecular Weight234.14 g/mol
Exact Mass233.04
IUPAC NameN-(3-bromopropyl)cyclopentanecarboxamide
SMILESO=C(NCCCBr)C1CCCC1
InChIInChI=1S/C9H16BrNO/c10-6-3-7-11-9(12)8-4-1-2-5-8/h8H,1-7H2,(H,11,12)
InChIKeyIEISQDGRGXKLEJ-UHFFFAOYSA-N
XLogP2.08
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.14
LogP ≤ 52.08
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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Related Compounds

N-(4-hydroxybutyl)cyclopentanecarboxamide
CID 106843693
N-(6-hydroxyhexyl)cyclopentanecarboxamide
CID 70973936
N-(3-hydroxypropyl)cyclopentanecarboxamide
CID 43392689
N-[3-(2-bromoethoxy)propyl]cycloheptanecarboxamide
CID 106307600
N-(3-aminopropyl)cyclohexanecarboxamide
CID 24699018
N-(4-iodobutyl)cyclooctanecarboxamide
CID 106846142
N-(4-bromobutyl)oxane-4-carboxamide
CID 106845809
N-(4-bromobutyl)bicyclo[4.1.0]heptane-7-carboxamide
CID 106845738
N-(3-bromopropyl)-1,1-dioxothiolane-3-carboxamide
CID 64907068
N-[12-(cycloheptylamino)dodecyl]cyclohexanecarboxamide
CID 166816734
N-[12-(cyclohexylamino)dodecyl]cyclopentanecarboxamide
CID 146474949
N-(3-cyanopropyl)cyclohexanecarboxamide
CID 62666827

Frequently Asked Questions

What is the IUPAC name of N-(3-bromopropyl)cyclopentanecarboxamide?
The IUPAC name of N-(3-bromopropyl)cyclopentanecarboxamide (CID 43133630) is N-(3-bromopropyl)cyclopentanecarboxamide.
What is the SMILES notation for N-(3-bromopropyl)cyclopentanecarboxamide?
The canonical SMILES for N-(3-bromopropyl)cyclopentanecarboxamide is O=C(NCCCBr)C1CCCC1.
What is the InChIKey of N-(3-bromopropyl)cyclopentanecarboxamide?
The InChIKey is IEISQDGRGXKLEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16BrNO/c10-6-3-7-11-9(12)8-4-1-2-5-8/h8H,1-7H2,(H,11,12).
What are the key properties of N-(3-bromopropyl)cyclopentanecarboxamide?
N-(3-bromopropyl)cyclopentanecarboxamide has a molecular weight of 234.14 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromopropyl)cyclopentanecarboxamide is sourced from PubChem (CID 43133630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).