(1Z)-4-methyl-1-(methylamino)penta-1,3-dien-3-ol

C7H13NO — CID 134485288

IUPAC(1Z)-4-methyl-1-(methylamino)penta-1,3-dien-3-ol
SMILESCN/C=C\C(O)=C(C)C
InChIInChI=1S/C7H13NO/c1-6(2)7(9)4-5-8-3/h4-5,8-9H,1-3H3/b5-4-
InChIKeySWLXLKYKJHKNRT-PLNGDYQASA-N
MW127.19 g/mol
LogP1.57
Rot. Bonds2

About (1Z)-4-methyl-1-(methylamino)penta-1,3-dien-3-ol

(1Z)-4-methyl-1-(methylamino)penta-1,3-dien-3-ol (PubChem CID 134485288) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is (1Z)-4-methyl-1-(methylamino)penta-1,3-dien-3-ol.

Molecular Properties

Compound Name(1Z)-4-methyl-1-(methylamino)penta-1,3-dien-3-ol
PubChem CID134485288
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name(1Z)-4-methyl-1-(methylamino)penta-1,3-dien-3-ol
SMILESCN/C=C\C(O)=C(C)C
InChIInChI=1S/C7H13NO/c1-6(2)7(9)4-5-8-3/h4-5,8-9H,1-3H3/b5-4-
InChIKeySWLXLKYKJHKNRT-PLNGDYQASA-N
XLogP1.57
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1Z)-4-methyl-1-(methylamino)penta-1,3-dien-3-ol?
The IUPAC name of (1Z)-4-methyl-1-(methylamino)penta-1,3-dien-3-ol (CID 134485288) is (1Z)-4-methyl-1-(methylamino)penta-1,3-dien-3-ol.
What is the SMILES notation for (1Z)-4-methyl-1-(methylamino)penta-1,3-dien-3-ol?
The canonical SMILES for (1Z)-4-methyl-1-(methylamino)penta-1,3-dien-3-ol is CN/C=C\C(O)=C(C)C.
What is the InChIKey of (1Z)-4-methyl-1-(methylamino)penta-1,3-dien-3-ol?
The InChIKey is SWLXLKYKJHKNRT-PLNGDYQASA-N. The full InChI is InChI=1S/C7H13NO/c1-6(2)7(9)4-5-8-3/h4-5,8-9H,1-3H3/b5-4-.
What are the key properties of (1Z)-4-methyl-1-(methylamino)penta-1,3-dien-3-ol?
(1Z)-4-methyl-1-(methylamino)penta-1,3-dien-3-ol has a molecular weight of 127.19 g/mol, XLogP of 1.57, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-4-methyl-1-(methylamino)penta-1,3-dien-3-ol is sourced from PubChem (CID 134485288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).