2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylmethyl)indolizine-1-carbonitrile

C19H23N3 — CID 71899945

IUPAC2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylmethyl)indolizine-1-carbonitrile
SMILESN#Cc1c(CN2CCCC3CCCCC32)cn2ccccc12
InChIInChI=1S/C19H23N3/c20-12-17-16(14-22-10-4-3-9-19(17)22)13-21-11-5-7-15-6-1-2-8-18(15)21/h3-4,9-10,14-15,18H,1-2,5-8,11,13H2
InChIKeyYYRLZABUYCDBIF-UHFFFAOYSA-N
MW293.41 g/mol
LogP3.97
Rot. Bonds2

About 2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylmethyl)indolizine-1-carbonitrile

2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylmethyl)indolizine-1-carbonitrile (PubChem CID 71899945) has the molecular formula C19H23N3 and a molecular weight of 293.41 g/mol. Its IUPAC name is 2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylmethyl)indolizine-1-carbonitrile.

Molecular Properties

Compound Name2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylmethyl)indolizine-1-carbonitrile
PubChem CID71899945
Molecular FormulaC19H23N3
Molecular Weight293.41 g/mol
Exact Mass293.19
IUPAC Name2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylmethyl)indolizine-1-carbonitrile
SMILESN#Cc1c(CN2CCCC3CCCCC32)cn2ccccc12
InChIInChI=1S/C19H23N3/c20-12-17-16(14-22-10-4-3-9-19(17)22)13-21-11-5-7-15-6-1-2-8-18(15)21/h3-4,9-10,14-15,18H,1-2,5-8,11,13H2
InChIKeyYYRLZABUYCDBIF-UHFFFAOYSA-N
XLogP3.97
TPSA31.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylmethyl)indolizine-1-carbonitrile?
The IUPAC name of 2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylmethyl)indolizine-1-carbonitrile (CID 71899945) is 2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylmethyl)indolizine-1-carbonitrile.
What is the SMILES notation for 2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylmethyl)indolizine-1-carbonitrile?
The canonical SMILES for 2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylmethyl)indolizine-1-carbonitrile is N#Cc1c(CN2CCCC3CCCCC32)cn2ccccc12.
What is the InChIKey of 2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylmethyl)indolizine-1-carbonitrile?
The InChIKey is YYRLZABUYCDBIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3/c20-12-17-16(14-22-10-4-3-9-19(17)22)13-21-11-5-7-15-6-1-2-8-18(15)21/h3-4,9-10,14-15,18H,1-2,5-8,11,13H2.
What are the key properties of 2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylmethyl)indolizine-1-carbonitrile?
2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylmethyl)indolizine-1-carbonitrile has a molecular weight of 293.41 g/mol, XLogP of 3.97, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylmethyl)indolizine-1-carbonitrile is sourced from PubChem (CID 71899945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).