N-[(2-bromocyclopentyl)methyl]cyclopropanecarboxamide

C10H16BrNO — CID 114313732

IUPACN-[(2-bromocyclopentyl)methyl]cyclopropanecarboxamide
SMILESO=C(NCC1CCCC1Br)C1CC1
InChIInChI=1S/C10H16BrNO/c11-9-3-1-2-8(9)6-12-10(13)7-4-5-7/h7-9H,1-6H2,(H,12,13)
InChIKeyXNKQJALANWNIDP-UHFFFAOYSA-N
MW246.15 g/mol
LogP2.08
Rot. Bonds3

About N-[(2-bromocyclopentyl)methyl]cyclopropanecarboxamide

N-[(2-bromocyclopentyl)methyl]cyclopropanecarboxamide (PubChem CID 114313732) has the molecular formula C10H16BrNO and a molecular weight of 246.15 g/mol. Its IUPAC name is N-[(2-bromocyclopentyl)methyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[(2-bromocyclopentyl)methyl]cyclopropanecarboxamide
PubChem CID114313732
Molecular FormulaC10H16BrNO
Molecular Weight246.15 g/mol
Exact Mass245.04
IUPAC NameN-[(2-bromocyclopentyl)methyl]cyclopropanecarboxamide
SMILESO=C(NCC1CCCC1Br)C1CC1
InChIInChI=1S/C10H16BrNO/c11-9-3-1-2-8(9)6-12-10(13)7-4-5-7/h7-9H,1-6H2,(H,12,13)
InChIKeyXNKQJALANWNIDP-UHFFFAOYSA-N
XLogP2.08
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.15
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[(2-bromocyclopentyl)methyl]-4-tert-butylcyclohexane-1-carboxamide
CID 114313834
N-[(2-bromocyclopentyl)methyl]oxolane-3-carboxamide
CID 114313897
N-[(2-bromocyclopentyl)methyl]-2,3-dihydro-1H-indene-2-carboxamide
CID 106894271
N-[(2-bromocyclohexyl)methyl]acetamide
CID 114312171
N-(cyclobutylmethyl)cyclopropanecarboxamide
CID 60757387
N-[(2-bromocyclohexyl)methyl]-5-methyloxolane-2-carboxamide
CID 114312330
N-[(2-hydroxycyclohexyl)methyl]cyclopentanecarboxamide
CID 64928899
N-[(2-bromocyclohexyl)methyl]-2-cyclopentylacetamide
CID 114312260
4-[(2-hydroxycyclohexyl)methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120673772
tert-butyl N-[(2-bromocyclopentyl)methyl]carbamate
CID 114313805
N-[(2-bromocyclopentyl)methyl]bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide
CID 113275363
N-[(2-bromocyclohexyl)methyl]-2,4,5-trimethyloxolane-3-carboxamide
CID 114312352

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromocyclopentyl)methyl]cyclopropanecarboxamide?
The IUPAC name of N-[(2-bromocyclopentyl)methyl]cyclopropanecarboxamide (CID 114313732) is N-[(2-bromocyclopentyl)methyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[(2-bromocyclopentyl)methyl]cyclopropanecarboxamide?
The canonical SMILES for N-[(2-bromocyclopentyl)methyl]cyclopropanecarboxamide is O=C(NCC1CCCC1Br)C1CC1.
What is the InChIKey of N-[(2-bromocyclopentyl)methyl]cyclopropanecarboxamide?
The InChIKey is XNKQJALANWNIDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16BrNO/c11-9-3-1-2-8(9)6-12-10(13)7-4-5-7/h7-9H,1-6H2,(H,12,13).
What are the key properties of N-[(2-bromocyclopentyl)methyl]cyclopropanecarboxamide?
N-[(2-bromocyclopentyl)methyl]cyclopropanecarboxamide has a molecular weight of 246.15 g/mol, XLogP of 2.08, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromocyclopentyl)methyl]cyclopropanecarboxamide is sourced from PubChem (CID 114313732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).