(2Z,4Z)-3-(methylamino)hexa-2,4-dien-2-ol

C7H13NO — CID 156745357

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

About (2Z,4Z)-3-(methylamino)hexa-2,4-dien-2-ol

(2Z,4Z)-3-(methylamino)hexa-2,4-dien-2-ol (PubChem CID 156745357) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is (2Z,4Z)-3-(methylamino)hexa-2,4-dien-2-ol.

Molecular Properties

Compound Name(2Z,4Z)-3-(methylamino)hexa-2,4-dien-2-ol
PubChem CID156745357
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name(2Z,4Z)-3-(methylamino)hexa-2,4-dien-2-ol
SMILESC/C=C\C(NC)=C(/C)O
InChIInChI=1S/C7H13NO/c1-4-5-7(8-3)6(2)9/h4-5,8-9H,1-3H3/b5-4-,7-6-
InChIKeyRBGDUDRNZUTORS-RZSVFLSASA-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 (2Z,4Z)-3-(methylamino)hexa-2,4-dien-2-ol?
The IUPAC name of (2Z,4Z)-3-(methylamino)hexa-2,4-dien-2-ol (CID 156745357) is (2Z,4Z)-3-(methylamino)hexa-2,4-dien-2-ol.
What is the SMILES notation for (2Z,4Z)-3-(methylamino)hexa-2,4-dien-2-ol?
The canonical SMILES for (2Z,4Z)-3-(methylamino)hexa-2,4-dien-2-ol is C/C=C\C(NC)=C(/C)O.
What is the InChIKey of (2Z,4Z)-3-(methylamino)hexa-2,4-dien-2-ol?
The InChIKey is RBGDUDRNZUTORS-RZSVFLSASA-N. The full InChI is InChI=1S/C7H13NO/c1-4-5-7(8-3)6(2)9/h4-5,8-9H,1-3H3/b5-4-,7-6-.
What are the key properties of (2Z,4Z)-3-(methylamino)hexa-2,4-dien-2-ol?
(2Z,4Z)-3-(methylamino)hexa-2,4-dien-2-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 (2Z,4Z)-3-(methylamino)hexa-2,4-dien-2-ol is sourced from PubChem (CID 156745357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).