1-bromo-N-(4-hydroxybutyl)cyclopropane-1-carboxamide

C8H14BrNO2 — CID 69426128

IUPAC1-bromo-N-(4-hydroxybutyl)cyclopropane-1-carboxamide
SMILESO=C(NCCCCO)C1(Br)CC1
InChIInChI=1S/C8H14BrNO2/c9-8(3-4-8)7(12)10-5-1-2-6-11/h11H,1-6H2,(H,10,12)
InChIKeyXCDSYTHDQNGIFR-UHFFFAOYSA-N
MW236.11 g/mol
LogP0.80
Rot. Bonds5

About 1-bromo-N-(4-hydroxybutyl)cyclopropane-1-carboxamide

1-bromo-N-(4-hydroxybutyl)cyclopropane-1-carboxamide (PubChem CID 69426128) has the molecular formula C8H14BrNO2 and a molecular weight of 236.11 g/mol. Its IUPAC name is 1-bromo-N-(4-hydroxybutyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-bromo-N-(4-hydroxybutyl)cyclopropane-1-carboxamide
PubChem CID69426128
Molecular FormulaC8H14BrNO2
Molecular Weight236.11 g/mol
Exact Mass235.02
IUPAC Name1-bromo-N-(4-hydroxybutyl)cyclopropane-1-carboxamide
SMILESO=C(NCCCCO)C1(Br)CC1
InChIInChI=1S/C8H14BrNO2/c9-8(3-4-8)7(12)10-5-1-2-6-11/h11H,1-6H2,(H,10,12)
InChIKeyXCDSYTHDQNGIFR-UHFFFAOYSA-N
XLogP0.80
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-(aminomethyl)-N-(4-hydroxybutyl)cyclobutane-1-carboxamide
CID 106842065
N-(4-hydroxybutyl)-4-methylpiperidine-4-carboxamide
CID 106842133
1-ethyl-N-(5-hydroxypentyl)cyclopentane-1-carboxamide
CID 107318578
1-(aminomethyl)-N-(5-hydroxypentyl)cyclohexane-1-carboxamide
CID 107317645
1-amino-N-(3-hydroxypropyl)cyclobutane-1-carboxamide
CID 81179934
3-bromo-N-(4-hydroxybutyl)prop-2-ynamide
CID 131208647
N-(5-hydroxypentyl)-2-methylthiolane-2-carboxamide
CID 107318890
CID 162306513
CID 162306513
12-hydroxydodecylurea
CID 57265418
1-(2-fluorophenyl)-N-(5-hydroxypentyl)cyclopropane-1-carboxamide
CID 110485230
N-(5-hydroxypentyl)-2-methyl-1-propan-2-ylcyclopentane-1-carboxamide
CID 20549171
(E)-4-(4-hydroxybutylamino)-4-oxobut-2-enoic acid
CID 106840396

Frequently Asked Questions

What is the IUPAC name of 1-bromo-N-(4-hydroxybutyl)cyclopropane-1-carboxamide?
The IUPAC name of 1-bromo-N-(4-hydroxybutyl)cyclopropane-1-carboxamide (CID 69426128) is 1-bromo-N-(4-hydroxybutyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-bromo-N-(4-hydroxybutyl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-bromo-N-(4-hydroxybutyl)cyclopropane-1-carboxamide is O=C(NCCCCO)C1(Br)CC1.
What is the InChIKey of 1-bromo-N-(4-hydroxybutyl)cyclopropane-1-carboxamide?
The InChIKey is XCDSYTHDQNGIFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14BrNO2/c9-8(3-4-8)7(12)10-5-1-2-6-11/h11H,1-6H2,(H,10,12).
What are the key properties of 1-bromo-N-(4-hydroxybutyl)cyclopropane-1-carboxamide?
1-bromo-N-(4-hydroxybutyl)cyclopropane-1-carboxamide has a molecular weight of 236.11 g/mol, XLogP of 0.80, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-N-(4-hydroxybutyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 69426128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).