1-(1-aminoprop-2-enyl)-3,4-dihydro-2H-naphthalen-1-ol

C13H17NO — CID 70513722

IUPAC1-(1-aminoprop-2-enyl)-3,4-dihydro-2H-naphthalen-1-ol
SMILESC=CC(N)C1(O)CCCc2ccccc21
InChIInChI=1S/C13H17NO/c1-2-12(14)13(15)9-5-7-10-6-3-4-8-11(10)13/h2-4,6,8,12,15H,1,5,7,9,14H2
InChIKeyINQQCVRVXPJXGQ-UHFFFAOYSA-N
MW203.28 g/mol
LogP1.72
Rot. Bonds2

About 1-(1-aminoprop-2-enyl)-3,4-dihydro-2H-naphthalen-1-ol

1-(1-aminoprop-2-enyl)-3,4-dihydro-2H-naphthalen-1-ol (PubChem CID 70513722) has the molecular formula C13H17NO and a molecular weight of 203.28 g/mol. Its IUPAC name is 1-(1-aminoprop-2-enyl)-3,4-dihydro-2H-naphthalen-1-ol.

Molecular Properties

Compound Name1-(1-aminoprop-2-enyl)-3,4-dihydro-2H-naphthalen-1-ol
PubChem CID70513722
Molecular FormulaC13H17NO
Molecular Weight203.28 g/mol
Exact Mass203.13
IUPAC Name1-(1-aminoprop-2-enyl)-3,4-dihydro-2H-naphthalen-1-ol
SMILESC=CC(N)C1(O)CCCc2ccccc21
InChIInChI=1S/C13H17NO/c1-2-12(14)13(15)9-5-7-10-6-3-4-8-11(10)13/h2-4,6,8,12,15H,1,5,7,9,14H2
InChIKeyINQQCVRVXPJXGQ-UHFFFAOYSA-N
XLogP1.72
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 51.72
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

5-(1-aminobutan-2-yl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol
CID 79128863
(1S)-1-[(1S)-1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl]-3,4-dihydro-2H-naphthalen-1-ol
CID 10957368
1-(1-hydroxypentyl)-3,4-dihydro-2H-naphthalen-1-ol
CID 102080429
1-(aminomethyl)-3,4-dihydro-2H-naphthalen-1-ol
CID 12914859
(1R)-1-[(S)-phenyl(pyridin-2-yl)methyl]-3,4-dihydro-2H-naphthalen-1-ol
CID 95559383
2-[1-(aminomethyl)-3,4-dihydro-2H-naphthalen-1-yl]-2-hydroxyacetaldehyde
CID 79125434
1-(hydroxymethyl)-3,4-dihydro-2H-naphthalen-1-ol
CID 11084449
5-ethenyl-5-hydroxy-6-methyl-8,9-dihydro-7H-benzo[7]annulene-6-carbonitrile
CID 11085522
2'-(bromomethyl)spiro[2,3-dihydro-1H-naphthalene-4,1'-cyclopropane]
CID 81351640
1-(2-methylpropyl)-3,4-dihydro-2H-naphthalen-1-ol
CID 43809321
1-ethynyl-3,4-dihydro-2H-naphthalen-1-ol
CID 12840344
4,4-diethyl-2,3-dihydro-1H-naphthalene
CID 520431

Frequently Asked Questions

What is the IUPAC name of 1-(1-aminoprop-2-enyl)-3,4-dihydro-2H-naphthalen-1-ol?
The IUPAC name of 1-(1-aminoprop-2-enyl)-3,4-dihydro-2H-naphthalen-1-ol (CID 70513722) is 1-(1-aminoprop-2-enyl)-3,4-dihydro-2H-naphthalen-1-ol.
What is the SMILES notation for 1-(1-aminoprop-2-enyl)-3,4-dihydro-2H-naphthalen-1-ol?
The canonical SMILES for 1-(1-aminoprop-2-enyl)-3,4-dihydro-2H-naphthalen-1-ol is C=CC(N)C1(O)CCCc2ccccc21.
What is the InChIKey of 1-(1-aminoprop-2-enyl)-3,4-dihydro-2H-naphthalen-1-ol?
The InChIKey is INQQCVRVXPJXGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO/c1-2-12(14)13(15)9-5-7-10-6-3-4-8-11(10)13/h2-4,6,8,12,15H,1,5,7,9,14H2.
What are the key properties of 1-(1-aminoprop-2-enyl)-3,4-dihydro-2H-naphthalen-1-ol?
1-(1-aminoprop-2-enyl)-3,4-dihydro-2H-naphthalen-1-ol has a molecular weight of 203.28 g/mol, XLogP of 1.72, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-aminoprop-2-enyl)-3,4-dihydro-2H-naphthalen-1-ol is sourced from PubChem (CID 70513722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).