4-[(1S)-1-aminopent-4-enyl]phenol

C11H15NO — CID 171217735

IUPAC4-[(1S)-1-aminopent-4-enyl]phenol
SMILESC=CCC[C@H](N)c1ccc(O)cc1
InChIInChI=1S/C11H15NO/c1-2-3-4-11(12)9-5-7-10(13)8-6-9/h2,5-8,11,13H,1,3-4,12H2/t11-/m0/s1
InChIKeyPLGWURAVHHTONB-NSHDSACASA-N
MW177.25 g/mol
LogP2.36
Rot. Bonds4

About 4-[(1S)-1-aminopent-4-enyl]phenol

4-[(1S)-1-aminopent-4-enyl]phenol (PubChem CID 171217735) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is 4-[(1S)-1-aminopent-4-enyl]phenol.

Molecular Properties

Compound Name4-[(1S)-1-aminopent-4-enyl]phenol
PubChem CID171217735
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC Name4-[(1S)-1-aminopent-4-enyl]phenol
SMILESC=CCC[C@H](N)c1ccc(O)cc1
InChIInChI=1S/C11H15NO/c1-2-3-4-11(12)9-5-7-10(13)8-6-9/h2,5-8,11,13H,1,3-4,12H2/t11-/m0/s1
InChIKeyPLGWURAVHHTONB-NSHDSACASA-N
XLogP2.36
TPSA46.25 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 ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[(1S)-1-aminobut-3-enyl]phenol;hydrochloride
CID 171217719
(1R)-1-(4-ethylphenyl)pent-4-en-1-amine
CID 171211235
(1S)-1-(4-tert-butylphenyl)pent-4-en-1-amine
CID 171221408
4-[(1S)-1,3-diaminopropyl]phenol
CID 130913331
4-[(1R)-1-aminopent-4-enyl]-2-bromophenol
CID 171204295
(1R)-1-pyridin-4-ylpent-4-en-1-amine;hydrochloride
CID 171200285
1-(4-ethylsulfanylphenyl)pent-4-en-1-amine
CID 106848528
4-[(1S)-1-aminopent-4-enyl]benzene-1,3-diol
CID 171219662
(1R)-1-[4-(trifluoromethyl)phenyl]pent-4-en-1-amine;hydrochloride
CID 171199075
4-[(1S)-1-aminopent-4-enyl]-2-fluorophenol;hydrochloride
CID 171218283
(1S)-1-(4-ethoxyphenyl)pent-4-en-1-amine
CID 171220253
4-[(1S)-1-aminopent-4-enyl]benzene-1,3-diol;hydrochloride
CID 171219663

Frequently Asked Questions

What is the IUPAC name of 4-[(1S)-1-aminopent-4-enyl]phenol?
The IUPAC name of 4-[(1S)-1-aminopent-4-enyl]phenol (CID 171217735) is 4-[(1S)-1-aminopent-4-enyl]phenol.
What is the SMILES notation for 4-[(1S)-1-aminopent-4-enyl]phenol?
The canonical SMILES for 4-[(1S)-1-aminopent-4-enyl]phenol is C=CCC[C@H](N)c1ccc(O)cc1.
What is the InChIKey of 4-[(1S)-1-aminopent-4-enyl]phenol?
The InChIKey is PLGWURAVHHTONB-NSHDSACASA-N. The full InChI is InChI=1S/C11H15NO/c1-2-3-4-11(12)9-5-7-10(13)8-6-9/h2,5-8,11,13H,1,3-4,12H2/t11-/m0/s1.
What are the key properties of 4-[(1S)-1-aminopent-4-enyl]phenol?
4-[(1S)-1-aminopent-4-enyl]phenol has a molecular weight of 177.25 g/mol, XLogP of 2.36, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1S)-1-aminopent-4-enyl]phenol is sourced from PubChem (CID 171217735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).