3-(furan-2-carbonyl)indolizine-1-carbonitrile

C14H8N2O2 — CID 102429783

IUPAC3-(furan-2-carbonyl)indolizine-1-carbonitrile
SMILESN#Cc1cc(C(=O)c2ccco2)n2ccccc12
InChIInChI=1S/C14H8N2O2/c15-9-10-8-12(14(17)13-5-3-7-18-13)16-6-2-1-4-11(10)16/h1-8H
InChIKeyFCTLSROALKULKV-UHFFFAOYSA-N
MW236.23 g/mol
LogP2.63
Rot. Bonds2

About 3-(furan-2-carbonyl)indolizine-1-carbonitrile

3-(furan-2-carbonyl)indolizine-1-carbonitrile (PubChem CID 102429783) has the molecular formula C14H8N2O2 and a molecular weight of 236.23 g/mol. Its IUPAC name is 3-(furan-2-carbonyl)indolizine-1-carbonitrile.

Molecular Properties

Compound Name3-(furan-2-carbonyl)indolizine-1-carbonitrile
PubChem CID102429783
Molecular FormulaC14H8N2O2
Molecular Weight236.23 g/mol
Exact Mass236.06
IUPAC Name3-(furan-2-carbonyl)indolizine-1-carbonitrile
SMILESN#Cc1cc(C(=O)c2ccco2)n2ccccc12
InChIInChI=1S/C14H8N2O2/c15-9-10-8-12(14(17)13-5-3-7-18-13)16-6-2-1-4-11(10)16/h1-8H
InChIKeyFCTLSROALKULKV-UHFFFAOYSA-N
XLogP2.63
TPSA58.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.23
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-carbonyl)indolizine-1-carbonitrile?
The IUPAC name of 3-(furan-2-carbonyl)indolizine-1-carbonitrile (CID 102429783) is 3-(furan-2-carbonyl)indolizine-1-carbonitrile.
What is the SMILES notation for 3-(furan-2-carbonyl)indolizine-1-carbonitrile?
The canonical SMILES for 3-(furan-2-carbonyl)indolizine-1-carbonitrile is N#Cc1cc(C(=O)c2ccco2)n2ccccc12.
What is the InChIKey of 3-(furan-2-carbonyl)indolizine-1-carbonitrile?
The InChIKey is FCTLSROALKULKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8N2O2/c15-9-10-8-12(14(17)13-5-3-7-18-13)16-6-2-1-4-11(10)16/h1-8H.
What are the key properties of 3-(furan-2-carbonyl)indolizine-1-carbonitrile?
3-(furan-2-carbonyl)indolizine-1-carbonitrile has a molecular weight of 236.23 g/mol, XLogP of 2.63, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-carbonyl)indolizine-1-carbonitrile is sourced from PubChem (CID 102429783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).