3,4-dihydro-2H-chromene-4-carbonitrile

C10H9NO — CID 15633311

IUPAC3,4-dihydro-2H-chromene-4-carbonitrile
SMILESN#CC1CCOc2ccccc21
InChIInChI=1S/C10H9NO/c11-7-8-5-6-12-10-4-2-1-3-9(8)10/h1-4,8H,5-6H2
InChIKeyABAPCDWXFHBYPE-UHFFFAOYSA-N
MW159.19 g/mol
LogP2.08
Rot. Bonds

About 3,4-dihydro-2H-chromene-4-carbonitrile

3,4-dihydro-2H-chromene-4-carbonitrile (PubChem CID 15633311) has the molecular formula C10H9NO and a molecular weight of 159.19 g/mol. Its IUPAC name is 3,4-dihydro-2H-chromene-4-carbonitrile.

Molecular Properties

Compound Name3,4-dihydro-2H-chromene-4-carbonitrile
PubChem CID15633311
Molecular FormulaC10H9NO
Molecular Weight159.19 g/mol
Exact Mass159.07
IUPAC Name3,4-dihydro-2H-chromene-4-carbonitrile
SMILESN#CC1CCOc2ccccc21
InChIInChI=1S/C10H9NO/c11-7-8-5-6-12-10-4-2-1-3-9(8)10/h1-4,8H,5-6H2
InChIKeyABAPCDWXFHBYPE-UHFFFAOYSA-N
XLogP2.08
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 ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3,4-dihydro-2H-chromene-4-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Xanthene
CID 7107
4-Benzyloxybenzonitrile
CID 561371
4'-(Pentyloxy)(1,1'-biphenyl)-4-carbonitrile
CID 104171
(1,1'-Biphenyl)-4-carbonitrile, 4'-(heptyloxy)-
CID 104172
(1,1'-Biphenyl)-4-carbonitrile, 4'-propoxy-
CID 104291
(1,1'-Biphenyl)-4-carbonitrile, 4'-butoxy-
CID 104292
Benzopyran
CID 9211
[1,1'-Biphenyl]-4-carbonitrile, 4'-(octyloxy)-
CID 104173
(1,1'-Biphenyl)-4-carbonitrile, 4'-(hexyloxy)-
CID 162465
Flavan
CID 94156
2H-1-Benzopyran-3-carbonitrile
CID 42438
[1,1'-Biphenyl]-4-carbonitrile, 4'-ethoxy-
CID 93893

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-chromene-4-carbonitrile?
The IUPAC name of 3,4-dihydro-2H-chromene-4-carbonitrile (CID 15633311) is 3,4-dihydro-2H-chromene-4-carbonitrile.
What is the SMILES notation for 3,4-dihydro-2H-chromene-4-carbonitrile?
The canonical SMILES for 3,4-dihydro-2H-chromene-4-carbonitrile is N#CC1CCOc2ccccc21.
What is the InChIKey of 3,4-dihydro-2H-chromene-4-carbonitrile?
The InChIKey is ABAPCDWXFHBYPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO/c11-7-8-5-6-12-10-4-2-1-3-9(8)10/h1-4,8H,5-6H2.
What are the key properties of 3,4-dihydro-2H-chromene-4-carbonitrile?
3,4-dihydro-2H-chromene-4-carbonitrile has a molecular weight of 159.19 g/mol, XLogP of 2.08, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-chromene-4-carbonitrile is sourced from PubChem (CID 15633311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).