5-[(2S)-1-(2,3-dihydro-1-benzofuran-5-yl)propan-2-yl]-2H-tetrazole

C12H14N4O — CID 158021450

IUPAC5-[(2S)-1-(2,3-dihydro-1-benzofuran-5-yl)propan-2-yl]-2H-tetrazole
SMILESC[C@@H](Cc1ccc2c(c1)CCO2)c1nn[nH]n1
InChIInChI=1S/C12H14N4O/c1-8(12-13-15-16-14-12)6-9-2-3-11-10(7-9)4-5-17-11/h2-3,7-8H,4-6H2,1H3,(H,13,14,15,16)/t8-/m0/s1
InChIKeyFGCNAUMJPNUFPS-QMMMGPOBSA-N
MW230.27 g/mol
LogP1.48
Rot. Bonds3

About 5-[(2S)-1-(2,3-dihydro-1-benzofuran-5-yl)propan-2-yl]-2H-tetrazole

5-[(2S)-1-(2,3-dihydro-1-benzofuran-5-yl)propan-2-yl]-2H-tetrazole (PubChem CID 158021450) has the molecular formula C12H14N4O and a molecular weight of 230.27 g/mol. Its IUPAC name is 5-[(2S)-1-(2,3-dihydro-1-benzofuran-5-yl)propan-2-yl]-2H-tetrazole.

Molecular Properties

Compound Name5-[(2S)-1-(2,3-dihydro-1-benzofuran-5-yl)propan-2-yl]-2H-tetrazole
PubChem CID158021450
Molecular FormulaC12H14N4O
Molecular Weight230.27 g/mol
Exact Mass230.12
IUPAC Name5-[(2S)-1-(2,3-dihydro-1-benzofuran-5-yl)propan-2-yl]-2H-tetrazole
SMILESC[C@@H](Cc1ccc2c(c1)CCO2)c1nn[nH]n1
InChIInChI=1S/C12H14N4O/c1-8(12-13-15-16-14-12)6-9-2-3-11-10(7-9)4-5-17-11/h2-3,7-8H,4-6H2,1H3,(H,13,14,15,16)/t8-/m0/s1
InChIKeyFGCNAUMJPNUFPS-QMMMGPOBSA-N
XLogP1.48
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2-isocyanobutyl)-2,3-dihydro-1-benzofuran
CID 176776889
2-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3-methylbutanoic acid
CID 116930721
3-(2,3-dihydro-1-benzofuran-5-yl)-2-methyl-N-(2-methylpropyl)propan-1-amine
CID 113425320
5-(chloromethyl)-2,3-dihydro-1-benzofuran
CID 11789614
2,3-dihydro-1-benzofuran-5-ylmethanethiol
CID 79885132
2,3-dihydro-1-benzofuran-5-ylmethylazanium
CID 6932006
1-(2,3-dihydro-1-benzofuran-5-yl)-3-phenylpropan-2-amine
CID 62722576
1-(2,3-dihydro-1-benzofuran-5-yl)-N-(1-phenylethyl)propan-2-amine;hydrochloride
CID 18352745
3-(2,3-dihydro-1-benzofuran-5-yl)-2-fluoropropanoic acid
CID 81357256
(2S)-2-amino-3-(2,3-dihydro-1-benzofuran-5-yl)propanoic acid
CID 62717626
2-(2,3-dihydro-1-benzofuran-5-yl)-1-hydroxyethanesulfonic acid
CID 59816088
magnesium;5-ethyl-2,3-dihydro-1-benzofuran;bromide
CID 156847219

Frequently Asked Questions

What is the IUPAC name of 5-[(2S)-1-(2,3-dihydro-1-benzofuran-5-yl)propan-2-yl]-2H-tetrazole?
The IUPAC name of 5-[(2S)-1-(2,3-dihydro-1-benzofuran-5-yl)propan-2-yl]-2H-tetrazole (CID 158021450) is 5-[(2S)-1-(2,3-dihydro-1-benzofuran-5-yl)propan-2-yl]-2H-tetrazole.
What is the SMILES notation for 5-[(2S)-1-(2,3-dihydro-1-benzofuran-5-yl)propan-2-yl]-2H-tetrazole?
The canonical SMILES for 5-[(2S)-1-(2,3-dihydro-1-benzofuran-5-yl)propan-2-yl]-2H-tetrazole is C[C@@H](Cc1ccc2c(c1)CCO2)c1nn[nH]n1.
What is the InChIKey of 5-[(2S)-1-(2,3-dihydro-1-benzofuran-5-yl)propan-2-yl]-2H-tetrazole?
The InChIKey is FGCNAUMJPNUFPS-QMMMGPOBSA-N. The full InChI is InChI=1S/C12H14N4O/c1-8(12-13-15-16-14-12)6-9-2-3-11-10(7-9)4-5-17-11/h2-3,7-8H,4-6H2,1H3,(H,13,14,15,16)/t8-/m0/s1.
What are the key properties of 5-[(2S)-1-(2,3-dihydro-1-benzofuran-5-yl)propan-2-yl]-2H-tetrazole?
5-[(2S)-1-(2,3-dihydro-1-benzofuran-5-yl)propan-2-yl]-2H-tetrazole has a molecular weight of 230.27 g/mol, XLogP of 1.48, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2S)-1-(2,3-dihydro-1-benzofuran-5-yl)propan-2-yl]-2H-tetrazole is sourced from PubChem (CID 158021450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).