(2Z,4Z)-5-aminohepta-2,4-dien-4-ol

C7H13NO — CID 126500173

IUPAC(2Z,4Z)-5-aminohepta-2,4-dien-4-ol
SMILESC/C=C\C(O)=C(\N)CC
InChIInChI=1S/C7H13NO/c1-3-5-7(9)6(8)4-2/h3,5,9H,4,8H2,1-2H3/b5-3-,7-6-
InChIKeyOIKDLLIGCBRTAU-VKLRWAGZSA-N
MW127.19 g/mol
LogP1.70
Rot. Bonds2

About (2Z,4Z)-5-aminohepta-2,4-dien-4-ol

(2Z,4Z)-5-aminohepta-2,4-dien-4-ol (PubChem CID 126500173) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is (2Z,4Z)-5-aminohepta-2,4-dien-4-ol.

Molecular Properties

Compound Name(2Z,4Z)-5-aminohepta-2,4-dien-4-ol
PubChem CID126500173
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name(2Z,4Z)-5-aminohepta-2,4-dien-4-ol
SMILESC/C=C\C(O)=C(\N)CC
InChIInChI=1S/C7H13NO/c1-3-5-7(9)6(8)4-2/h3,5,9H,4,8H2,1-2H3/b5-3-,7-6-
InChIKeyOIKDLLIGCBRTAU-VKLRWAGZSA-N
XLogP1.70
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-Amino-8-fluorocycloocta-1,5,7-trien-1-ol
CID 163765878
2-Amino-4-methylbenzene-5-id-1-ol;yttrium
CID 57832769
4-Amino-2-methylbenzene-6-id-1-ol;yttrium
CID 57888499
2-Amino-4-methylbenzene-6-id-1-ol;yttrium
CID 58597155
2-Amino-4-propan-2-ylidenecyclohexa-1,5-dien-1-ol
CID 68144324
5-Aminocyclohexa-1,5-dien-1-ol
CID 68302232
(2Z,4Z)-2-aminohepta-2,4,6-trien-3-ol
CID 88271846
(3Z,5E)-6-aminohepta-3,5-dien-2-ol
CID 88565279
(2Z,4Z,6E)-2-amino-4,5-dimethylocta-2,4,6-trien-3-ol
CID 88566743
(3Z,5Z)-3-amino-2-methylhepta-1,3,5-trien-4-ol
CID 88890672
(2E,4E)-5-aminohepta-2,4,6-trien-3-ol
CID 88891478
(3Z,5Z)-3-aminohepta-1,3,5-trien-4-ol
CID 90377140

Frequently Asked Questions

What is the IUPAC name of (2Z,4Z)-5-aminohepta-2,4-dien-4-ol?
The IUPAC name of (2Z,4Z)-5-aminohepta-2,4-dien-4-ol (CID 126500173) is (2Z,4Z)-5-aminohepta-2,4-dien-4-ol.
What is the SMILES notation for (2Z,4Z)-5-aminohepta-2,4-dien-4-ol?
The canonical SMILES for (2Z,4Z)-5-aminohepta-2,4-dien-4-ol is C/C=C\C(O)=C(\N)CC.
What is the InChIKey of (2Z,4Z)-5-aminohepta-2,4-dien-4-ol?
The InChIKey is OIKDLLIGCBRTAU-VKLRWAGZSA-N. The full InChI is InChI=1S/C7H13NO/c1-3-5-7(9)6(8)4-2/h3,5,9H,4,8H2,1-2H3/b5-3-,7-6-.
What are the key properties of (2Z,4Z)-5-aminohepta-2,4-dien-4-ol?
(2Z,4Z)-5-aminohepta-2,4-dien-4-ol has a molecular weight of 127.19 g/mol, XLogP of 1.70, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4Z)-5-aminohepta-2,4-dien-4-ol is sourced from PubChem (CID 126500173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).