N-[[1-(2-bromoethyl)cyclopropyl]methyl]cyclobutanecarboxamide

C11H18BrNO — CID 114758299

IUPACN-[[1-(2-bromoethyl)cyclopropyl]methyl]cyclobutanecarboxamide
SMILESO=C(NCC1(CCBr)CC1)C1CCC1
InChIInChI=1S/C11H18BrNO/c12-7-6-11(4-5-11)8-13-10(14)9-2-1-3-9/h9H,1-8H2,(H,13,14)
InChIKeyIFXQKHHCQOVWFO-UHFFFAOYSA-N
MW260.17 g/mol
LogP2.47
Rot. Bonds5

About N-[[1-(2-bromoethyl)cyclopropyl]methyl]cyclobutanecarboxamide

N-[[1-(2-bromoethyl)cyclopropyl]methyl]cyclobutanecarboxamide (PubChem CID 114758299) has the molecular formula C11H18BrNO and a molecular weight of 260.17 g/mol. Its IUPAC name is N-[[1-(2-bromoethyl)cyclopropyl]methyl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[[1-(2-bromoethyl)cyclopropyl]methyl]cyclobutanecarboxamide
PubChem CID114758299
Molecular FormulaC11H18BrNO
Molecular Weight260.17 g/mol
Exact Mass259.06
IUPAC NameN-[[1-(2-bromoethyl)cyclopropyl]methyl]cyclobutanecarboxamide
SMILESO=C(NCC1(CCBr)CC1)C1CCC1
InChIInChI=1S/C11H18BrNO/c12-7-6-11(4-5-11)8-13-10(14)9-2-1-3-9/h9H,1-8H2,(H,13,14)
InChIKeyIFXQKHHCQOVWFO-UHFFFAOYSA-N
XLogP2.47
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.17
LogP ≤ 52.47
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-[[1-(bromomethyl)cyclopropyl]methyl]cyclobutanecarboxamide
CID 115456256
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
4-[(1-ethylcyclopropyl)methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 114101646
(3R)-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]piperidine-3-carboxamide
CID 104969411
N-[[1-(chloromethyl)cyclohexyl]methyl]cyclopropanecarboxamide
CID 103969527
N-[(1-aminocyclohexyl)methyl]cyclooctanecarboxamide
CID 119404631
N-[(1-aminocyclohexyl)methyl]cycloheptanecarboxamide
CID 119404597
2-[1-[(cycloheptanecarbonylamino)methyl]cyclobutyl]acetic acid
CID 81164488
2-[1-[(cyclohexanecarbonylamino)methyl]cyclobutyl]acetic acid
CID 81164623

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-bromoethyl)cyclopropyl]methyl]cyclobutanecarboxamide?
The IUPAC name of N-[[1-(2-bromoethyl)cyclopropyl]methyl]cyclobutanecarboxamide (CID 114758299) is N-[[1-(2-bromoethyl)cyclopropyl]methyl]cyclobutanecarboxamide.
What is the SMILES notation for N-[[1-(2-bromoethyl)cyclopropyl]methyl]cyclobutanecarboxamide?
The canonical SMILES for N-[[1-(2-bromoethyl)cyclopropyl]methyl]cyclobutanecarboxamide is O=C(NCC1(CCBr)CC1)C1CCC1.
What is the InChIKey of N-[[1-(2-bromoethyl)cyclopropyl]methyl]cyclobutanecarboxamide?
The InChIKey is IFXQKHHCQOVWFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18BrNO/c12-7-6-11(4-5-11)8-13-10(14)9-2-1-3-9/h9H,1-8H2,(H,13,14).
What are the key properties of N-[[1-(2-bromoethyl)cyclopropyl]methyl]cyclobutanecarboxamide?
N-[[1-(2-bromoethyl)cyclopropyl]methyl]cyclobutanecarboxamide has a molecular weight of 260.17 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-bromoethyl)cyclopropyl]methyl]cyclobutanecarboxamide is sourced from PubChem (CID 114758299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).