(Z,2R)-3-ethenyl-1-(ethylamino)hept-5-en-2-ol

C11H21NO — CID 88863692

IUPAC(Z,2R)-3-ethenyl-1-(ethylamino)hept-5-en-2-ol
SMILESC=CC(C/C=C\C)[C@@H](O)CNCC
InChIInChI=1S/C11H21NO/c1-4-7-8-10(5-2)11(13)9-12-6-3/h4-5,7,10-13H,2,6,8-9H2,1,3H3/b7-4-/t10?,11-/m0/s1
InChIKeyNSOOFGNLVVBHJJ-DKKAXAFISA-N
MW183.29 g/mol
LogP1.73
Rot. Bonds7

About (Z,2R)-3-ethenyl-1-(ethylamino)hept-5-en-2-ol

(Z,2R)-3-ethenyl-1-(ethylamino)hept-5-en-2-ol (PubChem CID 88863692) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is (Z,2R)-3-ethenyl-1-(ethylamino)hept-5-en-2-ol.

Molecular Properties

Compound Name(Z,2R)-3-ethenyl-1-(ethylamino)hept-5-en-2-ol
PubChem CID88863692
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name(Z,2R)-3-ethenyl-1-(ethylamino)hept-5-en-2-ol
SMILESC=CC(C/C=C\C)[C@@H](O)CNCC
InChIInChI=1S/C11H21NO/c1-4-7-8-10(5-2)11(13)9-12-6-3/h4-5,7,10-13H,2,6,8-9H2,1,3H3/b7-4-/t10?,11-/m0/s1
InChIKeyNSOOFGNLVVBHJJ-DKKAXAFISA-N
XLogP1.73
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Launch Full Analysis

Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (Z,2R)-3-ethenyl-1-(ethylamino)hept-5-en-2-ol?
The IUPAC name of (Z,2R)-3-ethenyl-1-(ethylamino)hept-5-en-2-ol (CID 88863692) is (Z,2R)-3-ethenyl-1-(ethylamino)hept-5-en-2-ol.
What is the SMILES notation for (Z,2R)-3-ethenyl-1-(ethylamino)hept-5-en-2-ol?
The canonical SMILES for (Z,2R)-3-ethenyl-1-(ethylamino)hept-5-en-2-ol is C=CC(C/C=C\C)[C@@H](O)CNCC.
What is the InChIKey of (Z,2R)-3-ethenyl-1-(ethylamino)hept-5-en-2-ol?
The InChIKey is NSOOFGNLVVBHJJ-DKKAXAFISA-N. The full InChI is InChI=1S/C11H21NO/c1-4-7-8-10(5-2)11(13)9-12-6-3/h4-5,7,10-13H,2,6,8-9H2,1,3H3/b7-4-/t10?,11-/m0/s1.
What are the key properties of (Z,2R)-3-ethenyl-1-(ethylamino)hept-5-en-2-ol?
(Z,2R)-3-ethenyl-1-(ethylamino)hept-5-en-2-ol has a molecular weight of 183.29 g/mol, XLogP of 1.73, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,2R)-3-ethenyl-1-(ethylamino)hept-5-en-2-ol is sourced from PubChem (CID 88863692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).