N-[[1-(bromomethyl)cyclopropyl]methyl]cyclobutanecarboxamide

C10H16BrNO — CID 115456256

IUPACN-[[1-(bromomethyl)cyclopropyl]methyl]cyclobutanecarboxamide
SMILESO=C(NCC1(CBr)CC1)C1CCC1
InChIInChI=1S/C10H16BrNO/c11-6-10(4-5-10)7-12-9(13)8-2-1-3-8/h8H,1-7H2,(H,12,13)
InChIKeyZGTSWVNWVKPSBW-UHFFFAOYSA-N
MW246.15 g/mol
LogP2.08
Rot. Bonds4

About N-[[1-(bromomethyl)cyclopropyl]methyl]cyclobutanecarboxamide

N-[[1-(bromomethyl)cyclopropyl]methyl]cyclobutanecarboxamide (PubChem CID 115456256) has the molecular formula C10H16BrNO and a molecular weight of 246.15 g/mol. Its IUPAC name is N-[[1-(bromomethyl)cyclopropyl]methyl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[[1-(bromomethyl)cyclopropyl]methyl]cyclobutanecarboxamide
PubChem CID115456256
Molecular FormulaC10H16BrNO
Molecular Weight246.15 g/mol
Exact Mass245.04
IUPAC NameN-[[1-(bromomethyl)cyclopropyl]methyl]cyclobutanecarboxamide
SMILESO=C(NCC1(CBr)CC1)C1CCC1
InChIInChI=1S/C10H16BrNO/c11-6-10(4-5-10)7-12-9(13)8-2-1-3-8/h8H,1-7H2,(H,12,13)
InChIKeyZGTSWVNWVKPSBW-UHFFFAOYSA-N
XLogP2.08
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
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'}

Analyze N-[[1-(bromomethyl)cyclopropyl]methyl]cyclobutanecarboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[1-(2-bromoethyl)cyclopropyl]methyl]cyclobutanecarboxamide
CID 114758299
N-[[1-(bromomethyl)cyclopropyl]methyl]bicyclo[3.1.0]hexane-3-carboxamide
CID 115456224
N-[[1-(bromomethyl)cyclopropyl]methyl]bicyclo[4.1.0]heptane-7-carboxamide
CID 115456221
N-[[1-(hydroxymethyl)cyclopropyl]methyl]cyclooctanecarboxamide
CID 80717782
N-[(1-aminocyclopentyl)methyl]cyclobutanecarboxamide
CID 164661339
N-[(1-methylcyclopropyl)methyl]cyclobutanecarboxamide
CID 127018359
N-[(1-hydroxycyclohexyl)methyl]cycloheptanecarboxamide
CID 65114198
N-[[1-(bromomethyl)cyclopropyl]methyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 107127754
N-[[1-(bromomethyl)cyclopentyl]methyl]tricyclo[3.2.1.02,4]octane-3-carboxamide
CID 114097212
N-[[1-(bromomethyl)cyclopropyl]methyl]-2-cyclopropylacetamide
CID 115456501
N-[(1-aminocyclohexyl)methyl]cycloheptanecarboxamide
CID 119404597
N-[(1-aminocyclohexyl)methyl]cyclooctanecarboxamide
CID 119404631

Frequently Asked Questions

What is the IUPAC name of N-[[1-(bromomethyl)cyclopropyl]methyl]cyclobutanecarboxamide?
The IUPAC name of N-[[1-(bromomethyl)cyclopropyl]methyl]cyclobutanecarboxamide (CID 115456256) is N-[[1-(bromomethyl)cyclopropyl]methyl]cyclobutanecarboxamide.
What is the SMILES notation for N-[[1-(bromomethyl)cyclopropyl]methyl]cyclobutanecarboxamide?
The canonical SMILES for N-[[1-(bromomethyl)cyclopropyl]methyl]cyclobutanecarboxamide is O=C(NCC1(CBr)CC1)C1CCC1.
What is the InChIKey of N-[[1-(bromomethyl)cyclopropyl]methyl]cyclobutanecarboxamide?
The InChIKey is ZGTSWVNWVKPSBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16BrNO/c11-6-10(4-5-10)7-12-9(13)8-2-1-3-8/h8H,1-7H2,(H,12,13).
What are the key properties of N-[[1-(bromomethyl)cyclopropyl]methyl]cyclobutanecarboxamide?
N-[[1-(bromomethyl)cyclopropyl]methyl]cyclobutanecarboxamide has a molecular weight of 246.15 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-[[1-(bromomethyl)cyclopropyl]methyl]cyclobutanecarboxamide is sourced from PubChem (CID 115456256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).