(3R)-3-amino-5-methoxy-2,3-dihydro-1-benzofuran-4-carbonitrile

C10H10N2O2 — CID 130707445

IUPAC(3R)-3-amino-5-methoxy-2,3-dihydro-1-benzofuran-4-carbonitrile
SMILESCOc1ccc2c(c1C#N)[C@@H](N)CO2
InChIInChI=1S/C10H10N2O2/c1-13-8-2-3-9-10(6(8)4-11)7(12)5-14-9/h2-3,7H,5,12H2,1H3/t7-/m0/s1
InChIKeyWQVLYSYMTFGXPG-ZETCQYMHSA-N
MW190.20 g/mol
LogP0.96
Rot. Bonds1

About (3R)-3-amino-5-methoxy-2,3-dihydro-1-benzofuran-4-carbonitrile

(3R)-3-amino-5-methoxy-2,3-dihydro-1-benzofuran-4-carbonitrile (PubChem CID 130707445) has the molecular formula C10H10N2O2 and a molecular weight of 190.20 g/mol. Its IUPAC name is (3R)-3-amino-5-methoxy-2,3-dihydro-1-benzofuran-4-carbonitrile.

Molecular Properties

Compound Name(3R)-3-amino-5-methoxy-2,3-dihydro-1-benzofuran-4-carbonitrile
PubChem CID130707445
Molecular FormulaC10H10N2O2
Molecular Weight190.20 g/mol
Exact Mass190.07
IUPAC Name(3R)-3-amino-5-methoxy-2,3-dihydro-1-benzofuran-4-carbonitrile
SMILESCOc1ccc2c(c1C#N)[C@@H](N)CO2
InChIInChI=1S/C10H10N2O2/c1-13-8-2-3-9-10(6(8)4-11)7(12)5-14-9/h2-3,7H,5,12H2,1H3/t7-/m0/s1
InChIKeyWQVLYSYMTFGXPG-ZETCQYMHSA-N
XLogP0.96
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 ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methoxy-2,3-dihydro-1-benzofuran-3-amine;hydrochloride
CID 119057116
(3R)-3-amino-4-methoxy-2,3-dihydro-1-benzofuran-5-ol
CID 130665432
5,6-dimethoxy-2,3-dihydro-1-benzofuran-3-amine
CID 55269219
(4S)-4-amino-6-methoxy-3,4-dihydro-2H-chromen-5-ol
CID 130642446
3-amino-6,7-dimethoxy-2,3-dihydrochromen-4-one
CID 91622426
(9-methoxy-2-oxatricyclo[6.3.1.04,12]dodeca-1(12),6,8,10-tetraen-7-yl)methanamine
CID 10910979
(3R)-5-iodo-4-methyl-2,3-dihydro-1-benzofuran-3-amine
CID 131165587
(4S,7R)-7-(aminomethyl)-9-methoxy-2-oxatricyclo[6.3.1.04,12]dodeca-1(12),8,10-trien-7-ol
CID 129382753
6-methoxy-2,3-dihydro-1-benzofuran-3,5-diamine
CID 55294789
3-amino-4-ethyl-2,3-dihydro-1-benzofuran-6-carbonitrile
CID 130053828
methyl (3S)-3-amino-2,3-dihydro-1-benzofuran-4-carboxylate
CID 130722266
(3S)-4-chloro-6-methoxy-2,3-dihydro-1-benzofuran-3-amine
CID 130625417

Frequently Asked Questions

What is the IUPAC name of (3R)-3-amino-5-methoxy-2,3-dihydro-1-benzofuran-4-carbonitrile?
The IUPAC name of (3R)-3-amino-5-methoxy-2,3-dihydro-1-benzofuran-4-carbonitrile (CID 130707445) is (3R)-3-amino-5-methoxy-2,3-dihydro-1-benzofuran-4-carbonitrile.
What is the SMILES notation for (3R)-3-amino-5-methoxy-2,3-dihydro-1-benzofuran-4-carbonitrile?
The canonical SMILES for (3R)-3-amino-5-methoxy-2,3-dihydro-1-benzofuran-4-carbonitrile is COc1ccc2c(c1C#N)[C@@H](N)CO2.
What is the InChIKey of (3R)-3-amino-5-methoxy-2,3-dihydro-1-benzofuran-4-carbonitrile?
The InChIKey is WQVLYSYMTFGXPG-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H10N2O2/c1-13-8-2-3-9-10(6(8)4-11)7(12)5-14-9/h2-3,7H,5,12H2,1H3/t7-/m0/s1.
What are the key properties of (3R)-3-amino-5-methoxy-2,3-dihydro-1-benzofuran-4-carbonitrile?
(3R)-3-amino-5-methoxy-2,3-dihydro-1-benzofuran-4-carbonitrile has a molecular weight of 190.20 g/mol, XLogP of 0.96, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-amino-5-methoxy-2,3-dihydro-1-benzofuran-4-carbonitrile is sourced from PubChem (CID 130707445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).