(2E)-2-[(Z)-2-aminoethenyl]-4-bromopenta-2,4-dien-1-ol

C7H10BrNO — CID 88539128

IUPAC(2E)-2-[(Z)-2-aminoethenyl]-4-bromopenta-2,4-dien-1-ol
SMILESC=C(Br)/C=C(\C=C/N)CO
InChIInChI=1S/C7H10BrNO/c1-6(8)4-7(5-10)2-3-9/h2-4,10H,1,5,9H2/b3-2-,7-4+
InChIKeyFHGOEZVLBCOOCY-UDJLOATDSA-N
MW204.07 g/mol
LogP1.29
Rot. Bonds3

About (2E)-2-[(Z)-2-aminoethenyl]-4-bromopenta-2,4-dien-1-ol

(2E)-2-[(Z)-2-aminoethenyl]-4-bromopenta-2,4-dien-1-ol (PubChem CID 88539128) has the molecular formula C7H10BrNO and a molecular weight of 204.07 g/mol. Its IUPAC name is (2E)-2-[(Z)-2-aminoethenyl]-4-bromopenta-2,4-dien-1-ol.

Molecular Properties

Compound Name(2E)-2-[(Z)-2-aminoethenyl]-4-bromopenta-2,4-dien-1-ol
PubChem CID88539128
Molecular FormulaC7H10BrNO
Molecular Weight204.07 g/mol
Exact Mass202.99
IUPAC Name(2E)-2-[(Z)-2-aminoethenyl]-4-bromopenta-2,4-dien-1-ol
SMILESC=C(Br)/C=C(\C=C/N)CO
InChIInChI=1S/C7H10BrNO/c1-6(8)4-7(5-10)2-3-9/h2-4,10H,1,5,9H2/b3-2-,7-4+
InChIKeyFHGOEZVLBCOOCY-UDJLOATDSA-N
XLogP1.29
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.07
LogP ≤ 51.29
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

(2E,3E)-2-(aminomethylidene)-4-bromohexa-3,5-dien-1-ol
CID 88227138
(2E)-2-[(Z)-2-aminoethenyl]penta-2,4-dien-1-ol
CID 89187292
(2E,4Z)-2-[(Z)-2-aminoethenyl]hexa-2,4-dien-1-ol
CID 135196934
(2Z,4Z)-5-amino-3-methylpenta-2,4-dien-1-ol
CID 167253684
(2Z,4E)-5-amino-4-bromopenta-2,4-dien-1-ol
CID 167423134

Frequently Asked Questions

What is the IUPAC name of (2E)-2-[(Z)-2-aminoethenyl]-4-bromopenta-2,4-dien-1-ol?
The IUPAC name of (2E)-2-[(Z)-2-aminoethenyl]-4-bromopenta-2,4-dien-1-ol (CID 88539128) is (2E)-2-[(Z)-2-aminoethenyl]-4-bromopenta-2,4-dien-1-ol.
What is the SMILES notation for (2E)-2-[(Z)-2-aminoethenyl]-4-bromopenta-2,4-dien-1-ol?
The canonical SMILES for (2E)-2-[(Z)-2-aminoethenyl]-4-bromopenta-2,4-dien-1-ol is C=C(Br)/C=C(\C=C/N)CO.
What is the InChIKey of (2E)-2-[(Z)-2-aminoethenyl]-4-bromopenta-2,4-dien-1-ol?
The InChIKey is FHGOEZVLBCOOCY-UDJLOATDSA-N. The full InChI is InChI=1S/C7H10BrNO/c1-6(8)4-7(5-10)2-3-9/h2-4,10H,1,5,9H2/b3-2-,7-4+.
What are the key properties of (2E)-2-[(Z)-2-aminoethenyl]-4-bromopenta-2,4-dien-1-ol?
(2E)-2-[(Z)-2-aminoethenyl]-4-bromopenta-2,4-dien-1-ol has a molecular weight of 204.07 g/mol, XLogP of 1.29, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-[(Z)-2-aminoethenyl]-4-bromopenta-2,4-dien-1-ol is sourced from PubChem (CID 88539128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).