(1S)-1-(2,3-dihydro-1,4-benzodioxin-5-yl)prop-2-en-1-amine

C11H13NO2 — CID 130684063

IUPAC(1S)-1-(2,3-dihydro-1,4-benzodioxin-5-yl)prop-2-en-1-amine
SMILESC=C[C@H](N)c1cccc2c1OCCO2
InChIInChI=1S/C11H13NO2/c1-2-9(12)8-4-3-5-10-11(8)14-7-6-13-10/h2-5,9H,1,6-7,12H2/t9-/m0/s1
InChIKeyDACMARKOOZWFKB-VIFPVBQESA-N
MW191.23 g/mol
LogP1.64
Rot. Bonds2

About (1S)-1-(2,3-dihydro-1,4-benzodioxin-5-yl)prop-2-en-1-amine

(1S)-1-(2,3-dihydro-1,4-benzodioxin-5-yl)prop-2-en-1-amine (PubChem CID 130684063) has the molecular formula C11H13NO2 and a molecular weight of 191.23 g/mol. Its IUPAC name is (1S)-1-(2,3-dihydro-1,4-benzodioxin-5-yl)prop-2-en-1-amine.

Molecular Properties

Compound Name(1S)-1-(2,3-dihydro-1,4-benzodioxin-5-yl)prop-2-en-1-amine
PubChem CID130684063
Molecular FormulaC11H13NO2
Molecular Weight191.23 g/mol
Exact Mass191.09
IUPAC Name(1S)-1-(2,3-dihydro-1,4-benzodioxin-5-yl)prop-2-en-1-amine
SMILESC=C[C@H](N)c1cccc2c1OCCO2
InChIInChI=1S/C11H13NO2/c1-2-9(12)8-4-3-5-10-11(8)14-7-6-13-10/h2-5,9H,1,6-7,12H2/t9-/m0/s1
InChIKeyDACMARKOOZWFKB-VIFPVBQESA-N
XLogP1.64
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(1R)-1-(2,3-dihydro-1,4-benzodioxin-5-yl)-2-fluoroethanamine
CID 130673960
2-amino-2-(2,3-dihydro-1,4-benzodioxin-5-yl)acetic acid
CID 82395199
(2S)-2-amino-2-(2,3-dihydro-1,4-benzodioxin-5-yl)ethanol;hydrochloride
CID 171213621
(R)-cyclopropyl(2,3-dihydro-1,4-benzodioxin-5-yl)methanamine;hydrochloride
CID 171213604
1-(3,4-dihydro-2H-1,5-benzodioxepin-6-yl)ethanamine
CID 68796634
2,3-dihydro-1,4-benzodioxin-5-yl-(2-fluorophenyl)methanamine
CID 105119551
(1S)-1-(2,3-dihydro-1,4-benzodioxin-5-yl)-3-methylbut-3-en-1-amine
CID 131323428
(4-chlorophenyl)-(2,3-dihydro-1,4-benzodioxin-5-yl)methanamine
CID 105076308
(2,3-dichlorophenyl)-(2,3-dihydro-1,4-benzodioxin-5-yl)methanamine
CID 105141805
(1S)-1-(2,2-difluoro-1,3-benzodioxol-4-yl)prop-2-en-1-amine;hydrochloride
CID 162344369
cyclohexyl(2,3-dihydro-1,4-benzodioxin-5-yl)methanamine
CID 105079651
(4S)-4-amino-4-(2,3-dihydro-1,4-benzodioxin-5-yl)butan-1-ol;hydrochloride
CID 171233250

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(2,3-dihydro-1,4-benzodioxin-5-yl)prop-2-en-1-amine?
The IUPAC name of (1S)-1-(2,3-dihydro-1,4-benzodioxin-5-yl)prop-2-en-1-amine (CID 130684063) is (1S)-1-(2,3-dihydro-1,4-benzodioxin-5-yl)prop-2-en-1-amine.
What is the SMILES notation for (1S)-1-(2,3-dihydro-1,4-benzodioxin-5-yl)prop-2-en-1-amine?
The canonical SMILES for (1S)-1-(2,3-dihydro-1,4-benzodioxin-5-yl)prop-2-en-1-amine is C=C[C@H](N)c1cccc2c1OCCO2.
What is the InChIKey of (1S)-1-(2,3-dihydro-1,4-benzodioxin-5-yl)prop-2-en-1-amine?
The InChIKey is DACMARKOOZWFKB-VIFPVBQESA-N. The full InChI is InChI=1S/C11H13NO2/c1-2-9(12)8-4-3-5-10-11(8)14-7-6-13-10/h2-5,9H,1,6-7,12H2/t9-/m0/s1.
What are the key properties of (1S)-1-(2,3-dihydro-1,4-benzodioxin-5-yl)prop-2-en-1-amine?
(1S)-1-(2,3-dihydro-1,4-benzodioxin-5-yl)prop-2-en-1-amine has a molecular weight of 191.23 g/mol, XLogP of 1.64, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(2,3-dihydro-1,4-benzodioxin-5-yl)prop-2-en-1-amine is sourced from PubChem (CID 130684063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).