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

C8H13NO — CID 142099497

IUPAC(1Z)-2-(ethylideneamino)-4-methylpenta-1,3-dien-1-ol
SMILESC/C=N/C(C=C(C)C)=C\O
InChIInChI=1S/C8H13NO/c1-4-9-8(6-10)5-7(2)3/h4-6,10H,1-3H3/b8-6-,9-4+
InChIKeyGOTMFKPZXZEBQH-UNTFCYRVSA-N
MW139.20 g/mol
LogP2.44
Rot. Bonds2

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

(1Z)-2-(ethylideneamino)-4-methylpenta-1,3-dien-1-ol (PubChem CID 142099497) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is (1Z)-2-(ethylideneamino)-4-methylpenta-1,3-dien-1-ol.

Molecular Properties

Compound Name(1Z)-2-(ethylideneamino)-4-methylpenta-1,3-dien-1-ol
PubChem CID142099497
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name(1Z)-2-(ethylideneamino)-4-methylpenta-1,3-dien-1-ol
SMILESC/C=N/C(C=C(C)C)=C\O
InChIInChI=1S/C8H13NO/c1-4-9-8(6-10)5-7(2)3/h4-6,10H,1-3H3/b8-6-,9-4+
InChIKeyGOTMFKPZXZEBQH-UNTFCYRVSA-N
XLogP2.44
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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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Frequently Asked Questions

What is the IUPAC name of (1Z)-2-(ethylideneamino)-4-methylpenta-1,3-dien-1-ol?
The IUPAC name of (1Z)-2-(ethylideneamino)-4-methylpenta-1,3-dien-1-ol (CID 142099497) is (1Z)-2-(ethylideneamino)-4-methylpenta-1,3-dien-1-ol.
What is the SMILES notation for (1Z)-2-(ethylideneamino)-4-methylpenta-1,3-dien-1-ol?
The canonical SMILES for (1Z)-2-(ethylideneamino)-4-methylpenta-1,3-dien-1-ol is C/C=N/C(C=C(C)C)=C\O.
What is the InChIKey of (1Z)-2-(ethylideneamino)-4-methylpenta-1,3-dien-1-ol?
The InChIKey is GOTMFKPZXZEBQH-UNTFCYRVSA-N. The full InChI is InChI=1S/C8H13NO/c1-4-9-8(6-10)5-7(2)3/h4-6,10H,1-3H3/b8-6-,9-4+.
What are the key properties of (1Z)-2-(ethylideneamino)-4-methylpenta-1,3-dien-1-ol?
(1Z)-2-(ethylideneamino)-4-methylpenta-1,3-dien-1-ol has a molecular weight of 139.20 g/mol, XLogP of 2.44, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-2-(ethylideneamino)-4-methylpenta-1,3-dien-1-ol is sourced from PubChem (CID 142099497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).