4-[(Z)-4-(methylamino)but-1-enyl]phenol

C11H15NO — CID 117268085

IUPAC4-[(Z)-4-(methylamino)but-1-enyl]phenol
SMILESCNCC/C=C\c1ccc(O)cc1
InChIInChI=1S/C11H15NO/c1-12-9-3-2-4-10-5-7-11(13)8-6-10/h2,4-8,12-13H,3,9H2,1H3/b4-2-
InChIKeyYOPVPSBKUDEBEB-RQOWECAXSA-N
MW177.25 g/mol
LogP2.01
Rot. Bonds4

About 4-[(Z)-4-(methylamino)but-1-enyl]phenol

4-[(Z)-4-(methylamino)but-1-enyl]phenol (PubChem CID 117268085) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is 4-[(Z)-4-(methylamino)but-1-enyl]phenol.

Molecular Properties

Compound Name4-[(Z)-4-(methylamino)but-1-enyl]phenol
PubChem CID117268085
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC Name4-[(Z)-4-(methylamino)but-1-enyl]phenol
SMILESCNCC/C=C\c1ccc(O)cc1
InChIInChI=1S/C11H15NO/c1-12-9-3-2-4-10-5-7-11(13)8-6-10/h2,4-8,12-13H,3,9H2,1H3/b4-2-
InChIKeyYOPVPSBKUDEBEB-RQOWECAXSA-N
XLogP2.01
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(E)-3-[4-[4-(methylamino)but-1-enyl]phenyl]prop-2-enal
CID 170496048
4-[4-(aminomethyl)phenyl]-N-methylbut-3-en-1-amine
CID 170495473
4-[(E)-pent-1-enyl]phenol
CID 15576502
4-(4-ethoxyphenyl)-N-methylbut-3-en-1-amine
CID 79593374
2-bromo-4-[4-(methylamino)but-1-enyl]phenol
CID 170496795
tert-butyl 4-[4-(methylamino)but-1-enyl]benzoate
CID 170496655
ethyl 4-[4-(methylamino)but-1-enyl]benzoate
CID 170496854
N-methyl-4-(6-methyl-3-pyridinyl)but-3-en-1-amine
CID 54149645
4-chloro-3-[4-(methylamino)but-1-enyl]phenol
CID 170495346
1-[4-[4-(methylamino)but-1-enyl]phenyl]pyrrole-2,5-dione
CID 170496696
5-[4-(methylamino)but-1-enyl]-2-nitrophenol
CID 170496213
5-[4-(methylamino)but-1-enyl]pyridine-2-carboxylic acid
CID 170495822

Frequently Asked Questions

What is the IUPAC name of 4-[(Z)-4-(methylamino)but-1-enyl]phenol?
The IUPAC name of 4-[(Z)-4-(methylamino)but-1-enyl]phenol (CID 117268085) is 4-[(Z)-4-(methylamino)but-1-enyl]phenol.
What is the SMILES notation for 4-[(Z)-4-(methylamino)but-1-enyl]phenol?
The canonical SMILES for 4-[(Z)-4-(methylamino)but-1-enyl]phenol is CNCC/C=C\c1ccc(O)cc1.
What is the InChIKey of 4-[(Z)-4-(methylamino)but-1-enyl]phenol?
The InChIKey is YOPVPSBKUDEBEB-RQOWECAXSA-N. The full InChI is InChI=1S/C11H15NO/c1-12-9-3-2-4-10-5-7-11(13)8-6-10/h2,4-8,12-13H,3,9H2,1H3/b4-2-.
What are the key properties of 4-[(Z)-4-(methylamino)but-1-enyl]phenol?
4-[(Z)-4-(methylamino)but-1-enyl]phenol has a molecular weight of 177.25 g/mol, XLogP of 2.01, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-4-(methylamino)but-1-enyl]phenol is sourced from PubChem (CID 117268085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).