2-[(1R)-1-aminoprop-2-enyl]phenol

C9H11NO — CID 55278919

IUPAC2-[(1R)-1-aminoprop-2-enyl]phenol
SMILESC=C[C@@H](N)c1ccccc1O
InChIInChI=1S/C9H11NO/c1-2-8(10)7-5-3-4-6-9(7)11/h2-6,8,11H,1,10H2/t8-/m1/s1
InChIKeyCQMVBTHCPSLLDF-MRVPVSSYSA-N
MW149.19 g/mol
LogP1.58
Rot. Bonds2

About 2-[(1R)-1-aminoprop-2-enyl]phenol

2-[(1R)-1-aminoprop-2-enyl]phenol (PubChem CID 55278919) has the molecular formula C9H11NO and a molecular weight of 149.19 g/mol. Its IUPAC name is 2-[(1R)-1-aminoprop-2-enyl]phenol.

Molecular Properties

Compound Name2-[(1R)-1-aminoprop-2-enyl]phenol
PubChem CID55278919
Molecular FormulaC9H11NO
Molecular Weight149.19 g/mol
Exact Mass149.08
IUPAC Name2-[(1R)-1-aminoprop-2-enyl]phenol
SMILESC=C[C@@H](N)c1ccccc1O
InChIInChI=1S/C9H11NO/c1-2-8(10)7-5-3-4-6-9(7)11/h2-6,8,11H,1,10H2/t8-/m1/s1
InChIKeyCQMVBTHCPSLLDF-MRVPVSSYSA-N
XLogP1.58
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.19
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

3-[(1S)-1-aminoprop-2-enyl]benzene-1,2-diol
CID 130642432
3-[(1S)-1-aminoprop-2-enyl]-2-bromophenol
CID 130682320
1-[2-[2-(1-aminoprop-2-enyl)phenoxy]phenyl]prop-2-en-1-amine
CID 66780613
2-[(1S)-1-aminoprop-2-enyl]-6-chlorophenol
CID 130645432
2-[(1R)-1-aminoprop-2-enyl]-6-iodophenol
CID 130635018
2-[(1R)-1-aminoprop-2-enyl]-4-(trifluoromethyl)phenol;hydrochloride
CID 171258066
2-(1-fluoroprop-2-enyl)phenol
CID 69237560
2-[(1R)-1-aminoprop-2-enyl]-6-bromophenol;hydrochloride
CID 171202774
(1S)-1-(2-methoxyphenyl)prop-2-en-1-amine
CID 124509135
2-[(1S)-1-aminoprop-2-enyl]-4-nitrophenol
CID 130614433
2-[(1S)-1-aminoprop-2-enyl]benzonitrile
CID 131090476
2-[(1R)-1-aminoprop-2-enyl]-5-phenylmethoxyphenol
CID 171214455

Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-1-aminoprop-2-enyl]phenol?
The IUPAC name of 2-[(1R)-1-aminoprop-2-enyl]phenol (CID 55278919) is 2-[(1R)-1-aminoprop-2-enyl]phenol.
What is the SMILES notation for 2-[(1R)-1-aminoprop-2-enyl]phenol?
The canonical SMILES for 2-[(1R)-1-aminoprop-2-enyl]phenol is C=C[C@@H](N)c1ccccc1O.
What is the InChIKey of 2-[(1R)-1-aminoprop-2-enyl]phenol?
The InChIKey is CQMVBTHCPSLLDF-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H11NO/c1-2-8(10)7-5-3-4-6-9(7)11/h2-6,8,11H,1,10H2/t8-/m1/s1.
What are the key properties of 2-[(1R)-1-aminoprop-2-enyl]phenol?
2-[(1R)-1-aminoprop-2-enyl]phenol has a molecular weight of 149.19 g/mol, XLogP of 1.58, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-1-aminoprop-2-enyl]phenol is sourced from PubChem (CID 55278919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).