(8S)-8-methyl-1,2,3,5,6,7-hexahydropyrrolizine-2-carbonitrile

C9H14N2 — CID 171595552

IUPAC(8S)-8-methyl-1,2,3,5,6,7-hexahydropyrrolizine-2-carbonitrile
SMILESC[C@@]12CCCN1CC(C#N)C2
InChIInChI=1S/C9H14N2/c1-9-3-2-4-11(9)7-8(5-9)6-10/h8H,2-5,7H2,1H3/t8?,9-/m0/s1
InChIKeyMWQYRKDLWGBQFY-GKAPJAKFSA-N
MW150.22 g/mol
LogP1.38
Rot. Bonds

About (8S)-8-methyl-1,2,3,5,6,7-hexahydropyrrolizine-2-carbonitrile

(8S)-8-methyl-1,2,3,5,6,7-hexahydropyrrolizine-2-carbonitrile (PubChem CID 171595552) has the molecular formula C9H14N2 and a molecular weight of 150.22 g/mol. Its IUPAC name is (8S)-8-methyl-1,2,3,5,6,7-hexahydropyrrolizine-2-carbonitrile.

Molecular Properties

Compound Name(8S)-8-methyl-1,2,3,5,6,7-hexahydropyrrolizine-2-carbonitrile
PubChem CID171595552
Molecular FormulaC9H14N2
Molecular Weight150.22 g/mol
Exact Mass150.12
IUPAC Name(8S)-8-methyl-1,2,3,5,6,7-hexahydropyrrolizine-2-carbonitrile
SMILESC[C@@]12CCCN1CC(C#N)C2
InChIInChI=1S/C9H14N2/c1-9-3-2-4-11(9)7-8(5-9)6-10/h8H,2-5,7H2,1H3/t8?,9-/m0/s1
InChIKeyMWQYRKDLWGBQFY-GKAPJAKFSA-N
XLogP1.38
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (8S)-8-methyl-1,2,3,5,6,7-hexahydropyrrolizine-2-carbonitrile?
The IUPAC name of (8S)-8-methyl-1,2,3,5,6,7-hexahydropyrrolizine-2-carbonitrile (CID 171595552) is (8S)-8-methyl-1,2,3,5,6,7-hexahydropyrrolizine-2-carbonitrile.
What is the SMILES notation for (8S)-8-methyl-1,2,3,5,6,7-hexahydropyrrolizine-2-carbonitrile?
The canonical SMILES for (8S)-8-methyl-1,2,3,5,6,7-hexahydropyrrolizine-2-carbonitrile is C[C@@]12CCCN1CC(C#N)C2.
What is the InChIKey of (8S)-8-methyl-1,2,3,5,6,7-hexahydropyrrolizine-2-carbonitrile?
The InChIKey is MWQYRKDLWGBQFY-GKAPJAKFSA-N. The full InChI is InChI=1S/C9H14N2/c1-9-3-2-4-11(9)7-8(5-9)6-10/h8H,2-5,7H2,1H3/t8?,9-/m0/s1.
What are the key properties of (8S)-8-methyl-1,2,3,5,6,7-hexahydropyrrolizine-2-carbonitrile?
(8S)-8-methyl-1,2,3,5,6,7-hexahydropyrrolizine-2-carbonitrile has a molecular weight of 150.22 g/mol, XLogP of 1.38, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (8S)-8-methyl-1,2,3,5,6,7-hexahydropyrrolizine-2-carbonitrile is sourced from PubChem (CID 171595552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).