1,4-dihydrochromeno[4,3-b]pyrrole-3-carbonitrile

C12H8N2O — CID 67624491

IUPAC1,4-dihydrochromeno[4,3-b]pyrrole-3-carbonitrile
SMILESN#Cc1c[nH]c2c1COc1ccccc1-2
InChIInChI=1S/C12H8N2O/c13-5-8-6-14-12-9-3-1-2-4-11(9)15-7-10(8)12/h1-4,6,14H,7H2
InChIKeyFNUKLWMIHKEXBM-UHFFFAOYSA-N
MW196.21 g/mol
LogP2.45
Rot. Bonds

About 1,4-dihydrochromeno[4,3-b]pyrrole-3-carbonitrile

1,4-dihydrochromeno[4,3-b]pyrrole-3-carbonitrile (PubChem CID 67624491) has the molecular formula C12H8N2O and a molecular weight of 196.21 g/mol. Its IUPAC name is 1,4-dihydrochromeno[4,3-b]pyrrole-3-carbonitrile.

Molecular Properties

Compound Name1,4-dihydrochromeno[4,3-b]pyrrole-3-carbonitrile
PubChem CID67624491
Molecular FormulaC12H8N2O
Molecular Weight196.21 g/mol
Exact Mass196.06
IUPAC Name1,4-dihydrochromeno[4,3-b]pyrrole-3-carbonitrile
SMILESN#Cc1c[nH]c2c1COc1ccccc1-2
InChIInChI=1S/C12H8N2O/c13-5-8-6-14-12-9-3-1-2-4-11(9)15-7-10(8)12/h1-4,6,14H,7H2
InChIKeyFNUKLWMIHKEXBM-UHFFFAOYSA-N
XLogP2.45
TPSA48.81 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,4-dihydrochromeno[4,3-b]pyrrole-3-carbonitrile?
The IUPAC name of 1,4-dihydrochromeno[4,3-b]pyrrole-3-carbonitrile (CID 67624491) is 1,4-dihydrochromeno[4,3-b]pyrrole-3-carbonitrile.
What is the SMILES notation for 1,4-dihydrochromeno[4,3-b]pyrrole-3-carbonitrile?
The canonical SMILES for 1,4-dihydrochromeno[4,3-b]pyrrole-3-carbonitrile is N#Cc1c[nH]c2c1COc1ccccc1-2.
What is the InChIKey of 1,4-dihydrochromeno[4,3-b]pyrrole-3-carbonitrile?
The InChIKey is FNUKLWMIHKEXBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N2O/c13-5-8-6-14-12-9-3-1-2-4-11(9)15-7-10(8)12/h1-4,6,14H,7H2.
What are the key properties of 1,4-dihydrochromeno[4,3-b]pyrrole-3-carbonitrile?
1,4-dihydrochromeno[4,3-b]pyrrole-3-carbonitrile has a molecular weight of 196.21 g/mol, XLogP of 2.45, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dihydrochromeno[4,3-b]pyrrole-3-carbonitrile is sourced from PubChem (CID 67624491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).