[2-[(2S)-pent-4-en-2-yl]oxyethylideneamino]methanol

C8H15NO2 — CID 123528641

IUPAC[2-[(2S)-pent-4-en-2-yl]oxyethylideneamino]methanol
SMILESC=CC[C@H](C)OCC=NCO
InChIInChI=1S/C8H15NO2/c1-3-4-8(2)11-6-5-9-7-10/h3,5,8,10H,1,4,6-7H2,2H3/t8-/m0/s1
InChIKeyPCJHSCATEMJOQZ-QMMMGPOBSA-N
MW157.21 g/mol
LogP0.99
Rot. Bonds6

About [2-[(2S)-pent-4-en-2-yl]oxyethylideneamino]methanol

[2-[(2S)-pent-4-en-2-yl]oxyethylideneamino]methanol (PubChem CID 123528641) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is [2-[(2S)-pent-4-en-2-yl]oxyethylideneamino]methanol.

Molecular Properties

Compound Name[2-[(2S)-pent-4-en-2-yl]oxyethylideneamino]methanol
PubChem CID123528641
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Name[2-[(2S)-pent-4-en-2-yl]oxyethylideneamino]methanol
SMILESC=CC[C@H](C)OCC=NCO
InChIInChI=1S/C8H15NO2/c1-3-4-8(2)11-6-5-9-7-10/h3,5,8,10H,1,4,6-7H2,2H3/t8-/m0/s1
InChIKeyPCJHSCATEMJOQZ-QMMMGPOBSA-N
XLogP0.99
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2-[(2S)-pent-4-en-2-yl]oxyethylideneamino]methanol?
The IUPAC name of [2-[(2S)-pent-4-en-2-yl]oxyethylideneamino]methanol (CID 123528641) is [2-[(2S)-pent-4-en-2-yl]oxyethylideneamino]methanol.
What is the SMILES notation for [2-[(2S)-pent-4-en-2-yl]oxyethylideneamino]methanol?
The canonical SMILES for [2-[(2S)-pent-4-en-2-yl]oxyethylideneamino]methanol is C=CC[C@H](C)OCC=NCO.
What is the InChIKey of [2-[(2S)-pent-4-en-2-yl]oxyethylideneamino]methanol?
The InChIKey is PCJHSCATEMJOQZ-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H15NO2/c1-3-4-8(2)11-6-5-9-7-10/h3,5,8,10H,1,4,6-7H2,2H3/t8-/m0/s1.
What are the key properties of [2-[(2S)-pent-4-en-2-yl]oxyethylideneamino]methanol?
[2-[(2S)-pent-4-en-2-yl]oxyethylideneamino]methanol has a molecular weight of 157.21 g/mol, XLogP of 0.99, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2S)-pent-4-en-2-yl]oxyethylideneamino]methanol is sourced from PubChem (CID 123528641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).