4-[(1S)-1-aminopent-4-enyl]benzene-1,3-diol;hydrochloride

C11H16ClNO2 — CID 171219663

IUPAC4-[(1S)-1-aminopent-4-enyl]benzene-1,3-diol;hydrochloride
SMILESC=CCC[C@H](N)c1ccc(O)cc1O.Cl
InChIInChI=1S/C11H15NO2.ClH/c1-2-3-4-10(12)9-6-5-8(13)7-11(9)14;/h2,5-7,10,13-14H,1,3-4,12H2;1H/t10-;/m0./s1
InChIKeyHAIMFSGBFGZUIC-PPHPATTJSA-N
MW229.71 g/mol
LogP2.49
Rot. Bonds4

About 4-[(1S)-1-aminopent-4-enyl]benzene-1,3-diol;hydrochloride

4-[(1S)-1-aminopent-4-enyl]benzene-1,3-diol;hydrochloride (PubChem CID 171219663) has the molecular formula C11H16ClNO2 and a molecular weight of 229.71 g/mol. Its IUPAC name is 4-[(1S)-1-aminopent-4-enyl]benzene-1,3-diol;hydrochloride.

Molecular Properties

Compound Name4-[(1S)-1-aminopent-4-enyl]benzene-1,3-diol;hydrochloride
PubChem CID171219663
Molecular FormulaC11H16ClNO2
Molecular Weight229.71 g/mol
Exact Mass229.09
IUPAC Name4-[(1S)-1-aminopent-4-enyl]benzene-1,3-diol;hydrochloride
SMILESC=CCC[C@H](N)c1ccc(O)cc1O.Cl
InChIInChI=1S/C11H15NO2.ClH/c1-2-3-4-10(12)9-6-5-8(13)7-11(9)14;/h2,5-7,10,13-14H,1,3-4,12H2;1H/t10-;/m0./s1
InChIKeyHAIMFSGBFGZUIC-PPHPATTJSA-N
XLogP2.49
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.71
LogP ≤ 52.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-[(1S)-1-aminopent-4-enyl]benzene-1,3-diol
CID 171219662
4-[(1R)-1-amino-3-hydroxypropyl]benzene-1,3-diol;hydrochloride
CID 171200142
4-[(1R)-1-aminopent-4-enyl]naphthalen-1-ol;hydrochloride
CID 171208914
4-[(1R)-1-amino-4-methylpentyl]benzene-1,3-diol
CID 171200136
4-[(1S)-1-aminopropyl]benzene-1,3-diol;hydrochloride
CID 171219642
4-[(1S)-1-aminopent-4-enyl]phenol
CID 171217735
3-[(1S)-1-aminopent-4-enyl]-4-nitrophenol
CID 171226040
4-(1-amino-2-fluoroethyl)benzene-1,3-diol
CID 130061010
2-[(1R)-1-aminopent-4-enyl]-4-fluorophenol
CID 171198968
2-[(1S)-1-aminopent-4-enyl]-4-chlorophenol
CID 171217147
2-[(1S)-1-aminopent-4-enyl]-4,6-dibromophenol;hydrochloride
CID 171217191
4-[(1S)-1-aminopropyl]benzene-1,3-diol
CID 55255477

Frequently Asked Questions

What is the IUPAC name of 4-[(1S)-1-aminopent-4-enyl]benzene-1,3-diol;hydrochloride?
The IUPAC name of 4-[(1S)-1-aminopent-4-enyl]benzene-1,3-diol;hydrochloride (CID 171219663) is 4-[(1S)-1-aminopent-4-enyl]benzene-1,3-diol;hydrochloride.
What is the SMILES notation for 4-[(1S)-1-aminopent-4-enyl]benzene-1,3-diol;hydrochloride?
The canonical SMILES for 4-[(1S)-1-aminopent-4-enyl]benzene-1,3-diol;hydrochloride is C=CCC[C@H](N)c1ccc(O)cc1O.Cl.
What is the InChIKey of 4-[(1S)-1-aminopent-4-enyl]benzene-1,3-diol;hydrochloride?
The InChIKey is HAIMFSGBFGZUIC-PPHPATTJSA-N. The full InChI is InChI=1S/C11H15NO2.ClH/c1-2-3-4-10(12)9-6-5-8(13)7-11(9)14;/h2,5-7,10,13-14H,1,3-4,12H2;1H/t10-;/m0./s1.
What are the key properties of 4-[(1S)-1-aminopent-4-enyl]benzene-1,3-diol;hydrochloride?
4-[(1S)-1-aminopent-4-enyl]benzene-1,3-diol;hydrochloride has a molecular weight of 229.71 g/mol, XLogP of 2.49, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1S)-1-aminopent-4-enyl]benzene-1,3-diol;hydrochloride is sourced from PubChem (CID 171219663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).