(1Z)-2-(2-hydroxyethylideneamino)-4-methylpenta-1,3-dien-1-ol

C8H13NO2 — CID 142099505

IUPAC(1Z)-2-(2-hydroxyethylideneamino)-4-methylpenta-1,3-dien-1-ol
SMILESCC(C)=CC(=C/O)/N=C/CO
InChIInChI=1S/C8H13NO2/c1-7(2)5-8(6-11)9-3-4-10/h3,5-6,10-11H,4H2,1-2H3/b8-6-,9-3+
InChIKeyYCONWEIBVAUDBO-FTYJLKAESA-N
MW155.20 g/mol
LogP1.42
Rot. Bonds3

About (1Z)-2-(2-hydroxyethylideneamino)-4-methylpenta-1,3-dien-1-ol

(1Z)-2-(2-hydroxyethylideneamino)-4-methylpenta-1,3-dien-1-ol (PubChem CID 142099505) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is (1Z)-2-(2-hydroxyethylideneamino)-4-methylpenta-1,3-dien-1-ol.

Molecular Properties

Compound Name(1Z)-2-(2-hydroxyethylideneamino)-4-methylpenta-1,3-dien-1-ol
PubChem CID142099505
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Name(1Z)-2-(2-hydroxyethylideneamino)-4-methylpenta-1,3-dien-1-ol
SMILESCC(C)=CC(=C/O)/N=C/CO
InChIInChI=1S/C8H13NO2/c1-7(2)5-8(6-11)9-3-4-10/h3,5-6,10-11H,4H2,1-2H3/b8-6-,9-3+
InChIKeyYCONWEIBVAUDBO-FTYJLKAESA-N
XLogP1.42
TPSA52.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-methyl(411C)but-2-en-1-ol
CID 11693897
ethyl N-(2-hydroxyethylidene)carbamate
CID 173009776
2-[(3Z)-2,4,6-trimethylhepta-3,5-dienyl]iminoethanol
CID 146514636
3-methylbut-2-en-1-ol;hydrate
CID 172859141
cerium;2-methylprop-1-en-1-ol
CID 175572583
3-methylbut-2-en-1-ol;2-methylprop-1-ene
CID 87257087
2-[1-(2-hydroxyethylideneamino)ethylimino]ethanol
CID 141226662
(2E,6E,10E,14E,18E,22E,26Z,30Z,34Z)-3,7,11,15,19,23,27,31,35,39-decamethyltetraconta-2,6,10,14,18,22,26,30,34,38-decaen-1-ol
CID 172806438
(2Z,6E,10E,14E)-3,7,11,15,19-pentamethylicosa-2,6,10,14,18-pentaen-1-ol
CID 90659053
(2E)-3,7-dimethylocta-2,6-dien-1-ol;hydrochloride
CID 126649589
(2E,5E)-3,7-dimethylocta-2,5-dien-1-ol
CID 152758183
ethoxyethane;3,7,11-trimethyldodeca-2,6,10-trien-1-ol
CID 173407117

Frequently Asked Questions

What is the IUPAC name of (1Z)-2-(2-hydroxyethylideneamino)-4-methylpenta-1,3-dien-1-ol?
The IUPAC name of (1Z)-2-(2-hydroxyethylideneamino)-4-methylpenta-1,3-dien-1-ol (CID 142099505) is (1Z)-2-(2-hydroxyethylideneamino)-4-methylpenta-1,3-dien-1-ol.
What is the SMILES notation for (1Z)-2-(2-hydroxyethylideneamino)-4-methylpenta-1,3-dien-1-ol?
The canonical SMILES for (1Z)-2-(2-hydroxyethylideneamino)-4-methylpenta-1,3-dien-1-ol is CC(C)=CC(=C/O)/N=C/CO.
What is the InChIKey of (1Z)-2-(2-hydroxyethylideneamino)-4-methylpenta-1,3-dien-1-ol?
The InChIKey is YCONWEIBVAUDBO-FTYJLKAESA-N. The full InChI is InChI=1S/C8H13NO2/c1-7(2)5-8(6-11)9-3-4-10/h3,5-6,10-11H,4H2,1-2H3/b8-6-,9-3+.
What are the key properties of (1Z)-2-(2-hydroxyethylideneamino)-4-methylpenta-1,3-dien-1-ol?
(1Z)-2-(2-hydroxyethylideneamino)-4-methylpenta-1,3-dien-1-ol has a molecular weight of 155.20 g/mol, XLogP of 1.42, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-2-(2-hydroxyethylideneamino)-4-methylpenta-1,3-dien-1-ol is sourced from PubChem (CID 142099505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).