(E)-7-(hydroxyamino)hept-6-en-1-ol

C7H15NO2 — CID 163843969

IUPAC(E)-7-(hydroxyamino)hept-6-en-1-ol
SMILESOCCCCC/C=C/NO
InChIInChI=1S/C7H15NO2/c9-7-5-3-1-2-4-6-8-10/h4,6,8-10H,1-3,5,7H2/b6-4+
InChIKeyOOMDFBGBSGMVRA-GQCTYLIASA-N
MW145.20 g/mol
LogP1.03
Rot. Bonds6

About (E)-7-(hydroxyamino)hept-6-en-1-ol

(E)-7-(hydroxyamino)hept-6-en-1-ol (PubChem CID 163843969) has the molecular formula C7H15NO2 and a molecular weight of 145.20 g/mol. Its IUPAC name is (E)-7-(hydroxyamino)hept-6-en-1-ol.

Molecular Properties

Compound Name(E)-7-(hydroxyamino)hept-6-en-1-ol
PubChem CID163843969
Molecular FormulaC7H15NO2
Molecular Weight145.20 g/mol
Exact Mass145.11
IUPAC Name(E)-7-(hydroxyamino)hept-6-en-1-ol
SMILESOCCCCC/C=C/NO
InChIInChI=1S/C7H15NO2/c9-7-5-3-1-2-4-6-8-10/h4,6,8-10H,1-3,5,7H2/b6-4+
InChIKeyOOMDFBGBSGMVRA-GQCTYLIASA-N
XLogP1.03
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.20
LogP ≤ 51.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(E)-6-aminohex-5-en-1-ol
CID 88631413
(Z)-6-aminohex-5-en-1-ol
CID 89518620
(E)-6-aminohex-5-ene-1,1-diol
CID 163840994
N-hept-6-enoxyethenamine
CID 167047005

Frequently Asked Questions

What is the IUPAC name of (E)-7-(hydroxyamino)hept-6-en-1-ol?
The IUPAC name of (E)-7-(hydroxyamino)hept-6-en-1-ol (CID 163843969) is (E)-7-(hydroxyamino)hept-6-en-1-ol.
What is the SMILES notation for (E)-7-(hydroxyamino)hept-6-en-1-ol?
The canonical SMILES for (E)-7-(hydroxyamino)hept-6-en-1-ol is OCCCCC/C=C/NO.
What is the InChIKey of (E)-7-(hydroxyamino)hept-6-en-1-ol?
The InChIKey is OOMDFBGBSGMVRA-GQCTYLIASA-N. The full InChI is InChI=1S/C7H15NO2/c9-7-5-3-1-2-4-6-8-10/h4,6,8-10H,1-3,5,7H2/b6-4+.
What are the key properties of (E)-7-(hydroxyamino)hept-6-en-1-ol?
(E)-7-(hydroxyamino)hept-6-en-1-ol has a molecular weight of 145.20 g/mol, XLogP of 1.03, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-7-(hydroxyamino)hept-6-en-1-ol is sourced from PubChem (CID 163843969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).