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

C10H8ClNO — CID 117051004

IUPAC8-chloro-3,4-dihydro-2H-chromene-2-carbonitrile
SMILESN#CC1CCc2cccc(Cl)c2O1
InChIInChI=1S/C10H8ClNO/c11-9-3-1-2-7-4-5-8(6-12)13-10(7)9/h1-3,8H,4-5H2
InChIKeyQEPBMODGECSVBX-UHFFFAOYSA-N
MW193.63 g/mol
LogP2.56
Rot. Bonds

About 8-chloro-3,4-dihydro-2H-chromene-2-carbonitrile

8-chloro-3,4-dihydro-2H-chromene-2-carbonitrile (PubChem CID 117051004) has the molecular formula C10H8ClNO and a molecular weight of 193.63 g/mol. Its IUPAC name is 8-chloro-3,4-dihydro-2H-chromene-2-carbonitrile.

Molecular Properties

Compound Name8-chloro-3,4-dihydro-2H-chromene-2-carbonitrile
PubChem CID117051004
Molecular FormulaC10H8ClNO
Molecular Weight193.63 g/mol
Exact Mass193.03
IUPAC Name8-chloro-3,4-dihydro-2H-chromene-2-carbonitrile
SMILESN#CC1CCc2cccc(Cl)c2O1
InChIInChI=1S/C10H8ClNO/c11-9-3-1-2-7-4-5-8(6-12)13-10(7)9/h1-3,8H,4-5H2
InChIKeyQEPBMODGECSVBX-UHFFFAOYSA-N
XLogP2.56
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.63
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-3,4-dihydro-2H-chromene-2-carbonitrile?
The IUPAC name of 8-chloro-3,4-dihydro-2H-chromene-2-carbonitrile (CID 117051004) is 8-chloro-3,4-dihydro-2H-chromene-2-carbonitrile.
What is the SMILES notation for 8-chloro-3,4-dihydro-2H-chromene-2-carbonitrile?
The canonical SMILES for 8-chloro-3,4-dihydro-2H-chromene-2-carbonitrile is N#CC1CCc2cccc(Cl)c2O1.
What is the InChIKey of 8-chloro-3,4-dihydro-2H-chromene-2-carbonitrile?
The InChIKey is QEPBMODGECSVBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClNO/c11-9-3-1-2-7-4-5-8(6-12)13-10(7)9/h1-3,8H,4-5H2.
What are the key properties of 8-chloro-3,4-dihydro-2H-chromene-2-carbonitrile?
8-chloro-3,4-dihydro-2H-chromene-2-carbonitrile has a molecular weight of 193.63 g/mol, XLogP of 2.56, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-3,4-dihydro-2H-chromene-2-carbonitrile is sourced from PubChem (CID 117051004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).