(2Z,4E)-5-amino-4-bromopenta-2,4-dien-1-ol

C5H8BrNO — CID 167423134

IUPAC(2Z,4E)-5-amino-4-bromopenta-2,4-dien-1-ol
SMILESN/C=C(Br)\C=C/CO
InChIInChI=1S/C5H8BrNO/c6-5(4-7)2-1-3-8/h1-2,4,8H,3,7H2/b2-1-,5-4+
InChIKeyWIIDCIDESCMRJD-RKKGELDJSA-N
MW178.03 g/mol
LogP0.73
Rot. Bonds2

About (2Z,4E)-5-amino-4-bromopenta-2,4-dien-1-ol

(2Z,4E)-5-amino-4-bromopenta-2,4-dien-1-ol (PubChem CID 167423134) has the molecular formula C5H8BrNO and a molecular weight of 178.03 g/mol. Its IUPAC name is (2Z,4E)-5-amino-4-bromopenta-2,4-dien-1-ol.

Molecular Properties

Compound Name(2Z,4E)-5-amino-4-bromopenta-2,4-dien-1-ol
PubChem CID167423134
Molecular FormulaC5H8BrNO
Molecular Weight178.03 g/mol
Exact Mass176.98
IUPAC Name(2Z,4E)-5-amino-4-bromopenta-2,4-dien-1-ol
SMILESN/C=C(Br)\C=C/CO
InChIInChI=1S/C5H8BrNO/c6-5(4-7)2-1-3-8/h1-2,4,8H,3,7H2/b2-1-,5-4+
InChIKeyWIIDCIDESCMRJD-RKKGELDJSA-N
XLogP0.73
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.03
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

CID 76224447
CID 76224447
CID 88539128
CID 88539128
CID 145011635
CID 145011635
CID 148879304
CID 148879304
CID 167297779
CID 167297779
CID 173625410
CID 173625410
CID 55289709
CID 55289709

Frequently Asked Questions

What is the IUPAC name of (2Z,4E)-5-amino-4-bromopenta-2,4-dien-1-ol?
The IUPAC name of (2Z,4E)-5-amino-4-bromopenta-2,4-dien-1-ol (CID 167423134) is (2Z,4E)-5-amino-4-bromopenta-2,4-dien-1-ol.
What is the SMILES notation for (2Z,4E)-5-amino-4-bromopenta-2,4-dien-1-ol?
The canonical SMILES for (2Z,4E)-5-amino-4-bromopenta-2,4-dien-1-ol is N/C=C(Br)\C=C/CO.
What is the InChIKey of (2Z,4E)-5-amino-4-bromopenta-2,4-dien-1-ol?
The InChIKey is WIIDCIDESCMRJD-RKKGELDJSA-N. The full InChI is InChI=1S/C5H8BrNO/c6-5(4-7)2-1-3-8/h1-2,4,8H,3,7H2/b2-1-,5-4+.
What are the key properties of (2Z,4E)-5-amino-4-bromopenta-2,4-dien-1-ol?
(2Z,4E)-5-amino-4-bromopenta-2,4-dien-1-ol has a molecular weight of 178.03 g/mol, XLogP of 0.73, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4E)-5-amino-4-bromopenta-2,4-dien-1-ol is sourced from PubChem (CID 167423134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).