(2E,4E)-5-chloro-2-methyl-5-(methylamino)penta-2,4-dien-1-ol

C7H12ClNO — CID 142076424

IUPAC(2E,4E)-5-chloro-2-methyl-5-(methylamino)penta-2,4-dien-1-ol
SMILESCN/C(Cl)=C\C=C(/C)CO
InChIInChI=1S/C7H12ClNO/c1-6(5-10)3-4-7(8)9-2/h3-4,9-10H,5H2,1-2H3/b6-3+,7-4-
InChIKeyVDVUKBPASJJINE-JOVCIAKGSA-N
MW161.63 g/mol
LogP1.22
Rot. Bonds3

About (2E,4E)-5-chloro-2-methyl-5-(methylamino)penta-2,4-dien-1-ol

(2E,4E)-5-chloro-2-methyl-5-(methylamino)penta-2,4-dien-1-ol (PubChem CID 142076424) has the molecular formula C7H12ClNO and a molecular weight of 161.63 g/mol. Its IUPAC name is (2E,4E)-5-chloro-2-methyl-5-(methylamino)penta-2,4-dien-1-ol.

Molecular Properties

Compound Name(2E,4E)-5-chloro-2-methyl-5-(methylamino)penta-2,4-dien-1-ol
PubChem CID142076424
Molecular FormulaC7H12ClNO
Molecular Weight161.63 g/mol
Exact Mass161.06
IUPAC Name(2E,4E)-5-chloro-2-methyl-5-(methylamino)penta-2,4-dien-1-ol
SMILESCN/C(Cl)=C\C=C(/C)CO
InChIInChI=1S/C7H12ClNO/c1-6(5-10)3-4-7(8)9-2/h3-4,9-10H,5H2,1-2H3/b6-3+,7-4-
InChIKeyVDVUKBPASJJINE-JOVCIAKGSA-N
XLogP1.22
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.63
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(2E,4E)-5-fluoro-2,6-dimethylhepta-2,4,6-trien-1-ol
CID 145002435
(E,4S)-2-methyl-4-(methylamino)hex-2-en-1-ol
CID 143024132
(2E,4Z,6Z)-2-methylocta-2,4,6-trien-1-ol
CID 89381330
(2Z,4E)-N,5-dimethylhepta-2,4-dien-2-amine
CID 118534630
(2E,4E)-2-methylhepta-2,4-dien-1-ol
CID 173250100
4-chloro-2-methylbut-2-en-1-ol
CID 71386874
2,4-dimethylpent-2-en-1-ol
CID 54511819
(3E,5E)-6-chloro-3-methylhepta-3,5-dienoyl chloride
CID 155315731
(E)-1-chloro-N,3,3-trimethylbut-1-en-1-amine
CID 147216675
(E)-5-chloro-2-methylpent-2-en-1-ol
CID 11094667
(E)-2,5,5-trimethylhex-2-en-1-ol
CID 12603028
6-iodo-2,4-dimethylhept-2-en-1-ol
CID 54317872

Frequently Asked Questions

What is the IUPAC name of (2E,4E)-5-chloro-2-methyl-5-(methylamino)penta-2,4-dien-1-ol?
The IUPAC name of (2E,4E)-5-chloro-2-methyl-5-(methylamino)penta-2,4-dien-1-ol (CID 142076424) is (2E,4E)-5-chloro-2-methyl-5-(methylamino)penta-2,4-dien-1-ol.
What is the SMILES notation for (2E,4E)-5-chloro-2-methyl-5-(methylamino)penta-2,4-dien-1-ol?
The canonical SMILES for (2E,4E)-5-chloro-2-methyl-5-(methylamino)penta-2,4-dien-1-ol is CN/C(Cl)=C\C=C(/C)CO.
What is the InChIKey of (2E,4E)-5-chloro-2-methyl-5-(methylamino)penta-2,4-dien-1-ol?
The InChIKey is VDVUKBPASJJINE-JOVCIAKGSA-N. The full InChI is InChI=1S/C7H12ClNO/c1-6(5-10)3-4-7(8)9-2/h3-4,9-10H,5H2,1-2H3/b6-3+,7-4-.
What are the key properties of (2E,4E)-5-chloro-2-methyl-5-(methylamino)penta-2,4-dien-1-ol?
(2E,4E)-5-chloro-2-methyl-5-(methylamino)penta-2,4-dien-1-ol has a molecular weight of 161.63 g/mol, XLogP of 1.22, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-5-chloro-2-methyl-5-(methylamino)penta-2,4-dien-1-ol is sourced from PubChem (CID 142076424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).