(2S)-2-amino-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetonitrile

C10H10N2O2 — CID 28700828

IUPAC(2S)-2-amino-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetonitrile
SMILESN#C[C@@H](N)c1ccc2c(c1)OCCO2
InChIInChI=1S/C10H10N2O2/c11-6-8(12)7-1-2-9-10(5-7)14-4-3-13-9/h1-2,5,8H,3-4,12H2/t8-/m1/s1
InChIKeyUCMYGCATTYNXFS-MRVPVSSYSA-N
MW190.20 g/mol
LogP0.98
Rot. Bonds1

About (2S)-2-amino-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetonitrile

(2S)-2-amino-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetonitrile (PubChem CID 28700828) has the molecular formula C10H10N2O2 and a molecular weight of 190.20 g/mol. Its IUPAC name is (2S)-2-amino-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetonitrile.

Molecular Properties

Compound Name(2S)-2-amino-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetonitrile
PubChem CID28700828
Molecular FormulaC10H10N2O2
Molecular Weight190.20 g/mol
Exact Mass190.07
IUPAC Name(2S)-2-amino-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetonitrile
SMILESN#C[C@@H](N)c1ccc2c(c1)OCCO2
InChIInChI=1S/C10H10N2O2/c11-6-8(12)7-1-2-9-10(5-7)14-4-3-13-9/h1-2,5,8H,3-4,12H2/t8-/m1/s1
InChIKeyUCMYGCATTYNXFS-MRVPVSSYSA-N
XLogP0.98
TPSA68.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.20
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-4-(2,3-dihydro-1,4-benzodioxin-6-yl)butanenitrile
CID 116939964
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-oxopropanenitrile
CID 43802548
4-(2,3-dihydro-1,4-benzodioxin-6-yl)pentanenitrile
CID 83922145
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methylpentan-3-amine
CID 79298713
(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethane-1,2-diamine;hydrochloride
CID 171226605
bis(2,3-dihydro-1,4-benzodioxin-6-yl)methanol
CID 69205409
6-propan-2-yl-2,3-dihydro-1,4-benzodioxine
CID 22951095
2-amino-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetic acid
CID 4625672
(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)hexan-1-amine
CID 28979698
1-[1-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]piperidin-4-yl]ethanamine
CID 63595990
6-[(2S)-butan-2-yl]-2,3-dihydro-1,4-benzodioxine
CID 89291173
2-chloro-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetaldehyde
CID 87256824

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetonitrile?
The IUPAC name of (2S)-2-amino-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetonitrile (CID 28700828) is (2S)-2-amino-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetonitrile.
What is the SMILES notation for (2S)-2-amino-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetonitrile?
The canonical SMILES for (2S)-2-amino-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetonitrile is N#C[C@@H](N)c1ccc2c(c1)OCCO2.
What is the InChIKey of (2S)-2-amino-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetonitrile?
The InChIKey is UCMYGCATTYNXFS-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H10N2O2/c11-6-8(12)7-1-2-9-10(5-7)14-4-3-13-9/h1-2,5,8H,3-4,12H2/t8-/m1/s1.
What are the key properties of (2S)-2-amino-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetonitrile?
(2S)-2-amino-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetonitrile has a molecular weight of 190.20 g/mol, XLogP of 0.98, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetonitrile is sourced from PubChem (CID 28700828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).