(E)-5-iminohept-3-en-4-ol

C7H13NO — CID 163982995

IUPAC(E)-5-iminohept-3-en-4-ol
SMILES[H]/N=C(CC)/C(O)=C\CC
InChIInChI=1S/C7H13NO/c1-3-5-7(9)6(8)4-2/h5,8-9H,3-4H2,1-2H3/b7-5+,8-6+
InChIKeySZZRLZYLWHOMKF-KQQUZDAGSA-N
MW127.19 g/mol
LogP2.27
Rot. Bonds3

About (E)-5-iminohept-3-en-4-ol

(E)-5-iminohept-3-en-4-ol (PubChem CID 163982995) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is (E)-5-iminohept-3-en-4-ol.

Molecular Properties

Compound Name(E)-5-iminohept-3-en-4-ol
PubChem CID163982995
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name(E)-5-iminohept-3-en-4-ol
SMILES[H]/N=C(CC)/C(O)=C\CC
InChIInChI=1S/C7H13NO/c1-3-5-7(9)6(8)4-2/h5,8-9H,3-4H2,1-2H3/b7-5+,8-6+
InChIKeySZZRLZYLWHOMKF-KQQUZDAGSA-N
XLogP2.27
TPSA44.08 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

[(Z)-4-iminohex-2-en-2-yl]oxidanium
CID 143043472
[(Z)-4-iminopent-2-en-2-yl]oxidanium
CID 143658651
(E)-4-iminopent-2-en-3-ol;pent-1-ene
CID 165128744
(E,4Z)-4-aminooxyiminohex-2-en-3-ol
CID 166843845
(4E)-3-imino-4-methylhexa-1,4-dien-2-ol
CID 167291593
(E)-4-aminosulfanyliminohex-2-en-3-ol
CID 174074942
5-Imino-4-methylcyclopenten-1-ol
CID 12311490
(Z,4Z)-4-hydroxyiminohex-2-en-3-ol
CID 100921291
(E)-4-methyliminohex-2-en-3-ol
CID 143063242
(E)-4-iminopent-2-en-3-ol
CID 165128745

Frequently Asked Questions

What is the IUPAC name of (E)-5-iminohept-3-en-4-ol?
The IUPAC name of (E)-5-iminohept-3-en-4-ol (CID 163982995) is (E)-5-iminohept-3-en-4-ol.
What is the SMILES notation for (E)-5-iminohept-3-en-4-ol?
The canonical SMILES for (E)-5-iminohept-3-en-4-ol is [H]/N=C(CC)/C(O)=C\CC.
What is the InChIKey of (E)-5-iminohept-3-en-4-ol?
The InChIKey is SZZRLZYLWHOMKF-KQQUZDAGSA-N. The full InChI is InChI=1S/C7H13NO/c1-3-5-7(9)6(8)4-2/h5,8-9H,3-4H2,1-2H3/b7-5+,8-6+.
What are the key properties of (E)-5-iminohept-3-en-4-ol?
(E)-5-iminohept-3-en-4-ol has a molecular weight of 127.19 g/mol, XLogP of 2.27, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-iminohept-3-en-4-ol is sourced from PubChem (CID 163982995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).