1-bromoprop-1-en-1-ol

C3H5BrO — CID 76545266

IUPAC1-bromoprop-1-en-1-ol
SMILESCC=C(O)Br
InChIInChI=1S/C3H5BrO/c1-2-3(4)5/h2,5H,1H3
InChIKeyPBPAFHRJPGQGCI-UHFFFAOYSA-N
MW136.98 g/mol
LogP1.80
Rot. Bonds

About 1-bromoprop-1-en-1-ol

1-bromoprop-1-en-1-ol (PubChem CID 76545266) has the molecular formula C3H5BrO and a molecular weight of 136.98 g/mol. Its IUPAC name is 1-bromoprop-1-en-1-ol.

Molecular Properties

Compound Name1-bromoprop-1-en-1-ol
PubChem CID76545266
Molecular FormulaC3H5BrO
Molecular Weight136.98 g/mol
Exact Mass135.95
IUPAC Name1-bromoprop-1-en-1-ol
SMILESCC=C(O)Br
InChIInChI=1S/C3H5BrO/c1-2-3(4)5/h2,5H,1H3
InChIKeyPBPAFHRJPGQGCI-UHFFFAOYSA-N
XLogP1.80
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.98
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

(E)-2-bromobut-2-enoic acid
CID 5383581
1-bromoprop-1-enyl hydrogen carbonate
CID 175585757
CID 161256128
CID 161256128
(1E,3Z)-1,3-dibromo-2-methylpenta-1,3-diene
CID 88705103
2-bromo-4-methylhexa-2,4-diene
CID 76702782
(3Z)-2-bromopenta-1,3-diene
CID 89363869
(E)-2-methylbut-2-enoic acid;hydrochloride
CID 87583281
2-methylbut-2-enoic acid;yttrium
CID 76824008
(3Z)-2-bromo-3-methylpenta-1,3-diene;ethene
CID 144646634
2-methylbut-2-enoic acid;silane
CID 173038853
acetic acid;(E)-2-methylbut-2-enoic acid
CID 88739712
2-bromoprop-1-en-1-ol
CID 71347780

Frequently Asked Questions

What is the IUPAC name of 1-bromoprop-1-en-1-ol?
The IUPAC name of 1-bromoprop-1-en-1-ol (CID 76545266) is 1-bromoprop-1-en-1-ol.
What is the SMILES notation for 1-bromoprop-1-en-1-ol?
The canonical SMILES for 1-bromoprop-1-en-1-ol is CC=C(O)Br.
What is the InChIKey of 1-bromoprop-1-en-1-ol?
The InChIKey is PBPAFHRJPGQGCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5BrO/c1-2-3(4)5/h2,5H,1H3.
What are the key properties of 1-bromoprop-1-en-1-ol?
1-bromoprop-1-en-1-ol has a molecular weight of 136.98 g/mol, XLogP of 1.80, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromoprop-1-en-1-ol is sourced from PubChem (CID 76545266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).