(Z,3E)-3-ethylidene-1-(methylamino)hept-4-en-2-ol

C10H19NO — CID 142920401

IUPAC(Z,3E)-3-ethylidene-1-(methylamino)hept-4-en-2-ol
SMILESC/C=C(\C=C/CC)C(O)CNC
InChIInChI=1S/C10H19NO/c1-4-6-7-9(5-2)10(12)8-11-3/h5-7,10-12H,4,8H2,1-3H3/b7-6-,9-5+
InChIKeyZRVOLTJANPXLPE-QRLJIZSYSA-N
MW169.27 g/mol
LogP1.48
Rot. Bonds5

About (Z,3E)-3-ethylidene-1-(methylamino)hept-4-en-2-ol

(Z,3E)-3-ethylidene-1-(methylamino)hept-4-en-2-ol (PubChem CID 142920401) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is (Z,3E)-3-ethylidene-1-(methylamino)hept-4-en-2-ol.

Molecular Properties

Compound Name(Z,3E)-3-ethylidene-1-(methylamino)hept-4-en-2-ol
PubChem CID142920401
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name(Z,3E)-3-ethylidene-1-(methylamino)hept-4-en-2-ol
SMILESC/C=C(\C=C/CC)C(O)CNC
InChIInChI=1S/C10H19NO/c1-4-6-7-9(5-2)10(12)8-11-3/h5-7,10-12H,4,8H2,1-3H3/b7-6-,9-5+
InChIKeyZRVOLTJANPXLPE-QRLJIZSYSA-N
XLogP1.48
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.48
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

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Frequently Asked Questions

What is the IUPAC name of (Z,3E)-3-ethylidene-1-(methylamino)hept-4-en-2-ol?
The IUPAC name of (Z,3E)-3-ethylidene-1-(methylamino)hept-4-en-2-ol (CID 142920401) is (Z,3E)-3-ethylidene-1-(methylamino)hept-4-en-2-ol.
What is the SMILES notation for (Z,3E)-3-ethylidene-1-(methylamino)hept-4-en-2-ol?
The canonical SMILES for (Z,3E)-3-ethylidene-1-(methylamino)hept-4-en-2-ol is C/C=C(\C=C/CC)C(O)CNC.
What is the InChIKey of (Z,3E)-3-ethylidene-1-(methylamino)hept-4-en-2-ol?
The InChIKey is ZRVOLTJANPXLPE-QRLJIZSYSA-N. The full InChI is InChI=1S/C10H19NO/c1-4-6-7-9(5-2)10(12)8-11-3/h5-7,10-12H,4,8H2,1-3H3/b7-6-,9-5+.
What are the key properties of (Z,3E)-3-ethylidene-1-(methylamino)hept-4-en-2-ol?
(Z,3E)-3-ethylidene-1-(methylamino)hept-4-en-2-ol has a molecular weight of 169.27 g/mol, XLogP of 1.48, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,3E)-3-ethylidene-1-(methylamino)hept-4-en-2-ol is sourced from PubChem (CID 142920401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).