3-methyl-2,3-dihydro-1-benzofuran-6-carbonitrile

C10H9NO — CID 102491716

IUPAC3-methyl-2,3-dihydro-1-benzofuran-6-carbonitrile
SMILESCC1COc2cc(C#N)ccc21
InChIInChI=1S/C10H9NO/c1-7-6-12-10-4-8(5-11)2-3-9(7)10/h2-4,7H,6H2,1H3
InChIKeyNCZPFTIJRDWIKR-UHFFFAOYSA-N
MW159.19 g/mol
LogP2.05
Rot. Bonds

About 3-methyl-2,3-dihydro-1-benzofuran-6-carbonitrile

3-methyl-2,3-dihydro-1-benzofuran-6-carbonitrile (PubChem CID 102491716) has the molecular formula C10H9NO and a molecular weight of 159.19 g/mol. Its IUPAC name is 3-methyl-2,3-dihydro-1-benzofuran-6-carbonitrile.

Molecular Properties

Compound Name3-methyl-2,3-dihydro-1-benzofuran-6-carbonitrile
PubChem CID102491716
Molecular FormulaC10H9NO
Molecular Weight159.19 g/mol
Exact Mass159.07
IUPAC Name3-methyl-2,3-dihydro-1-benzofuran-6-carbonitrile
SMILESCC1COc2cc(C#N)ccc21
InChIInChI=1S/C10H9NO/c1-7-6-12-10-4-8(5-11)2-3-9(7)10/h2-4,7H,6H2,1H3
InChIKeyNCZPFTIJRDWIKR-UHFFFAOYSA-N
XLogP2.05
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.19
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 500476
1-hydroxy-1,3-dihydro-2-benzofuran-5-carbonitrile
CID 154531997
1-[(3-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]piperazine
CID 117203737
3-methyl-6-(4-nitrophenoxy)-2,3-dihydro-1-benzofuran
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5-(2-bromoethyl)-2,3,4,5-tetrahydro-1-benzoxepine-8-carbonitrile
CID 18986522
ethane;4-methyl-3,4-dihydro-2H-thiochromene-7-carbonitrile
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3-methyl-2,3-dihydro-1H-isoindole-5-carbonitrile
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3-bromo-4-(oxetan-3-yl)benzonitrile
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2,5,8,11,18,21,24,27-octaoxatricyclo[26.4.0.012,17]dotriaconta-1(28),12(17),13,15,29,31-hexaene-14,30-dicarbonitrile
CID 3956324
3-(hydroxymethyl)-4-methyl-2,3-dihydro-1,4-benzoxazine-6-carbonitrile
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3-(2,3-dihydro-1-benzofuran-3-ylamino)benzonitrile
CID 104663697

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2,3-dihydro-1-benzofuran-6-carbonitrile?
The IUPAC name of 3-methyl-2,3-dihydro-1-benzofuran-6-carbonitrile (CID 102491716) is 3-methyl-2,3-dihydro-1-benzofuran-6-carbonitrile.
What is the SMILES notation for 3-methyl-2,3-dihydro-1-benzofuran-6-carbonitrile?
The canonical SMILES for 3-methyl-2,3-dihydro-1-benzofuran-6-carbonitrile is CC1COc2cc(C#N)ccc21.
What is the InChIKey of 3-methyl-2,3-dihydro-1-benzofuran-6-carbonitrile?
The InChIKey is NCZPFTIJRDWIKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO/c1-7-6-12-10-4-8(5-11)2-3-9(7)10/h2-4,7H,6H2,1H3.
What are the key properties of 3-methyl-2,3-dihydro-1-benzofuran-6-carbonitrile?
3-methyl-2,3-dihydro-1-benzofuran-6-carbonitrile has a molecular weight of 159.19 g/mol, XLogP of 2.05, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2,3-dihydro-1-benzofuran-6-carbonitrile is sourced from PubChem (CID 102491716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).