1-bromo-N-[(2R)-2-hydroxypropyl]cyclobutane-1-carboxamide

C8H14BrNO2 — CID 130703863

IUPAC1-bromo-N-[(2R)-2-hydroxypropyl]cyclobutane-1-carboxamide
SMILESC[C@@H](O)CNC(=O)C1(Br)CCC1
InChIInChI=1S/C8H14BrNO2/c1-6(11)5-10-7(12)8(9)3-2-4-8/h6,11H,2-5H2,1H3,(H,10,12)/t6-/m1/s1
InChIKeyJEKWBOFVEYCBQX-ZCFIWIBFSA-N
MW236.11 g/mol
LogP0.80
Rot. Bonds3

About 1-bromo-N-[(2R)-2-hydroxypropyl]cyclobutane-1-carboxamide

1-bromo-N-[(2R)-2-hydroxypropyl]cyclobutane-1-carboxamide (PubChem CID 130703863) has the molecular formula C8H14BrNO2 and a molecular weight of 236.11 g/mol. Its IUPAC name is 1-bromo-N-[(2R)-2-hydroxypropyl]cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-bromo-N-[(2R)-2-hydroxypropyl]cyclobutane-1-carboxamide
PubChem CID130703863
Molecular FormulaC8H14BrNO2
Molecular Weight236.11 g/mol
Exact Mass235.02
IUPAC Name1-bromo-N-[(2R)-2-hydroxypropyl]cyclobutane-1-carboxamide
SMILESC[C@@H](O)CNC(=O)C1(Br)CCC1
InChIInChI=1S/C8H14BrNO2/c1-6(11)5-10-7(12)8(9)3-2-4-8/h6,11H,2-5H2,1H3,(H,10,12)/t6-/m1/s1
InChIKeyJEKWBOFVEYCBQX-ZCFIWIBFSA-N
XLogP0.80
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.11
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-bromo-N-(2,2-dimethylpropyl)cyclobutane-1-carboxamide
CID 130778437
1-amino-N-[(2S)-2-hydroxypropyl]cyclopentane-1-carboxamide
CID 93315414
1-hydroxy-N-(2-hydroxypropyl)cyclopentane-1-carboxamide
CID 130676498
1-ethyl-N-[(2R)-2-hydroxypropyl]cyclopentane-1-carboxamide
CID 83059320
1-(4-bromophenyl)-N-(2-hydroxypropyl)cyclobutane-1-carboxamide
CID 78855875
1-(aminomethyl)-N-[(2S)-2-hydroxypropyl]cyclohexane-1-carboxamide
CID 107221086
N-[(2R)-2-hydroxypropyl]adamantane-1-carboxamide
CID 7106778
1-bromo-N-propan-2-ylcyclohexane-1-carboxamide
CID 117059753
N-(2-hydroxypropyl)-3-methylpiperidine-3-carboxamide
CID 63129926
1-bromo-N-(1-cyanoethyl)cyclopentane-1-carboxamide
CID 131176934
1-hydroxy-N-(2-methylpropyl)cyclobutane-1-carboxamide
CID 131043772
1-bromocyclobutane-1-carbohydrazide
CID 130652448

Frequently Asked Questions

What is the IUPAC name of 1-bromo-N-[(2R)-2-hydroxypropyl]cyclobutane-1-carboxamide?
The IUPAC name of 1-bromo-N-[(2R)-2-hydroxypropyl]cyclobutane-1-carboxamide (CID 130703863) is 1-bromo-N-[(2R)-2-hydroxypropyl]cyclobutane-1-carboxamide.
What is the SMILES notation for 1-bromo-N-[(2R)-2-hydroxypropyl]cyclobutane-1-carboxamide?
The canonical SMILES for 1-bromo-N-[(2R)-2-hydroxypropyl]cyclobutane-1-carboxamide is C[C@@H](O)CNC(=O)C1(Br)CCC1.
What is the InChIKey of 1-bromo-N-[(2R)-2-hydroxypropyl]cyclobutane-1-carboxamide?
The InChIKey is JEKWBOFVEYCBQX-ZCFIWIBFSA-N. The full InChI is InChI=1S/C8H14BrNO2/c1-6(11)5-10-7(12)8(9)3-2-4-8/h6,11H,2-5H2,1H3,(H,10,12)/t6-/m1/s1.
What are the key properties of 1-bromo-N-[(2R)-2-hydroxypropyl]cyclobutane-1-carboxamide?
1-bromo-N-[(2R)-2-hydroxypropyl]cyclobutane-1-carboxamide has a molecular weight of 236.11 g/mol, XLogP of 0.80, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-N-[(2R)-2-hydroxypropyl]cyclobutane-1-carboxamide is sourced from PubChem (CID 130703863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).