2-propyl-3,3a,4,9b-tetrahydro-1H-chromeno[3,4-c]pyrrole-8-carbonitrile

C15H18N2O — CID 22376257

IUPAC2-propyl-3,3a,4,9b-tetrahydro-1H-chromeno[3,4-c]pyrrole-8-carbonitrile
SMILESCCCN1CC2COc3ccc(C#N)cc3C2C1
InChIInChI=1S/C15H18N2O/c1-2-5-17-8-12-10-18-15-4-3-11(7-16)6-13(15)14(12)9-17/h3-4,6,12,14H,2,5,8-10H2,1H3
InChIKeyGDYQVHUWFCXMBW-UHFFFAOYSA-N
MW242.32 g/mol
LogP2.38
Rot. Bonds2

About 2-propyl-3,3a,4,9b-tetrahydro-1H-chromeno[3,4-c]pyrrole-8-carbonitrile

2-propyl-3,3a,4,9b-tetrahydro-1H-chromeno[3,4-c]pyrrole-8-carbonitrile (PubChem CID 22376257) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is 2-propyl-3,3a,4,9b-tetrahydro-1H-chromeno[3,4-c]pyrrole-8-carbonitrile.

Molecular Properties

Compound Name2-propyl-3,3a,4,9b-tetrahydro-1H-chromeno[3,4-c]pyrrole-8-carbonitrile
PubChem CID22376257
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name2-propyl-3,3a,4,9b-tetrahydro-1H-chromeno[3,4-c]pyrrole-8-carbonitrile
SMILESCCCN1CC2COc3ccc(C#N)cc3C2C1
InChIInChI=1S/C15H18N2O/c1-2-5-17-8-12-10-18-15-4-3-11(7-16)6-13(15)14(12)9-17/h3-4,6,12,14H,2,5,8-10H2,1H3
InChIKeyGDYQVHUWFCXMBW-UHFFFAOYSA-N
XLogP2.38
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-propyl-3,3a,4,9b-tetrahydro-1H-chromeno[3,4-c]pyrrole-8-carbonitrile?
The IUPAC name of 2-propyl-3,3a,4,9b-tetrahydro-1H-chromeno[3,4-c]pyrrole-8-carbonitrile (CID 22376257) is 2-propyl-3,3a,4,9b-tetrahydro-1H-chromeno[3,4-c]pyrrole-8-carbonitrile.
What is the SMILES notation for 2-propyl-3,3a,4,9b-tetrahydro-1H-chromeno[3,4-c]pyrrole-8-carbonitrile?
The canonical SMILES for 2-propyl-3,3a,4,9b-tetrahydro-1H-chromeno[3,4-c]pyrrole-8-carbonitrile is CCCN1CC2COc3ccc(C#N)cc3C2C1.
What is the InChIKey of 2-propyl-3,3a,4,9b-tetrahydro-1H-chromeno[3,4-c]pyrrole-8-carbonitrile?
The InChIKey is GDYQVHUWFCXMBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c1-2-5-17-8-12-10-18-15-4-3-11(7-16)6-13(15)14(12)9-17/h3-4,6,12,14H,2,5,8-10H2,1H3.
What are the key properties of 2-propyl-3,3a,4,9b-tetrahydro-1H-chromeno[3,4-c]pyrrole-8-carbonitrile?
2-propyl-3,3a,4,9b-tetrahydro-1H-chromeno[3,4-c]pyrrole-8-carbonitrile has a molecular weight of 242.32 g/mol, XLogP of 2.38, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propyl-3,3a,4,9b-tetrahydro-1H-chromeno[3,4-c]pyrrole-8-carbonitrile is sourced from PubChem (CID 22376257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).