7,10-dimethyl-2-oxopyrano[3,2-a]indolizine-3-carbonitrile

C14H10N2O2 — CID 15760071

IUPAC7,10-dimethyl-2-oxopyrano[3,2-a]indolizine-3-carbonitrile
SMILESCc1ccc2c3cc(C#N)c(=O)oc3c(C)n2c1
InChIInChI=1S/C14H10N2O2/c1-8-3-4-12-11-5-10(6-15)14(17)18-13(11)9(2)16(12)7-8/h3-5,7H,1-2H3
InChIKeyBNPHZIJAYZDZMO-UHFFFAOYSA-N
MW238.25 g/mol
LogP2.53
Rot. Bonds

About 7,10-dimethyl-2-oxopyrano[3,2-a]indolizine-3-carbonitrile

7,10-dimethyl-2-oxopyrano[3,2-a]indolizine-3-carbonitrile (PubChem CID 15760071) has the molecular formula C14H10N2O2 and a molecular weight of 238.25 g/mol. Its IUPAC name is 7,10-dimethyl-2-oxopyrano[3,2-a]indolizine-3-carbonitrile.

Molecular Properties

Compound Name7,10-dimethyl-2-oxopyrano[3,2-a]indolizine-3-carbonitrile
PubChem CID15760071
Molecular FormulaC14H10N2O2
Molecular Weight238.25 g/mol
Exact Mass238.07
IUPAC Name7,10-dimethyl-2-oxopyrano[3,2-a]indolizine-3-carbonitrile
SMILESCc1ccc2c3cc(C#N)c(=O)oc3c(C)n2c1
InChIInChI=1S/C14H10N2O2/c1-8-3-4-12-11-5-10(6-15)14(17)18-13(11)9(2)16(12)7-8/h3-5,7H,1-2H3
InChIKeyBNPHZIJAYZDZMO-UHFFFAOYSA-N
XLogP2.53
TPSA58.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7,10-dimethyl-2-oxopyrano[3,2-a]indolizine-3-carbonitrile?
The IUPAC name of 7,10-dimethyl-2-oxopyrano[3,2-a]indolizine-3-carbonitrile (CID 15760071) is 7,10-dimethyl-2-oxopyrano[3,2-a]indolizine-3-carbonitrile.
What is the SMILES notation for 7,10-dimethyl-2-oxopyrano[3,2-a]indolizine-3-carbonitrile?
The canonical SMILES for 7,10-dimethyl-2-oxopyrano[3,2-a]indolizine-3-carbonitrile is Cc1ccc2c3cc(C#N)c(=O)oc3c(C)n2c1.
What is the InChIKey of 7,10-dimethyl-2-oxopyrano[3,2-a]indolizine-3-carbonitrile?
The InChIKey is BNPHZIJAYZDZMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O2/c1-8-3-4-12-11-5-10(6-15)14(17)18-13(11)9(2)16(12)7-8/h3-5,7H,1-2H3.
What are the key properties of 7,10-dimethyl-2-oxopyrano[3,2-a]indolizine-3-carbonitrile?
7,10-dimethyl-2-oxopyrano[3,2-a]indolizine-3-carbonitrile has a molecular weight of 238.25 g/mol, XLogP of 2.53, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7,10-dimethyl-2-oxopyrano[3,2-a]indolizine-3-carbonitrile is sourced from PubChem (CID 15760071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).